← сравнение complex #816 3D Viewer

Complex #816 — Ru(2)

GT: {"N": 6, "P": 2} · Δ = +0.00
{"N": 6, "P": 2}
Ground Truth
0.000
Single-lig
0.000
Sequential
+0.000
Δ Sequential
Single-ligand (v1) — 81 candidates
Pred: {"P": 1}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
Sequential multi-lig (v2) — 81 candidates
Pred: {"P": 5}
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#2 [Ru+2]<-[P]12CN3CN(CN(C3)C1)C2 0.996
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#3 C1N2CN3CN1C[P](->[Ru+2]<-[P]14CN5CN(CN(C5)C1)C4)(C2)C3 0.922
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#4 C[C]12[C]3(C)[C]4(C)[C]5(C)[C]1(C)[Ru+]2345 0.866
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#5 Cc1[c-](C)[c]2(C)->[Ru+]3<-[c]1(C)[c]->32C 0.417
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#6 C1N2C[N]34->[Ru+2]<-[P](C2)(CN1C3)C4 0.055
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#7 [Ru+2]<-[N]12CN3CN(CP(C3)C1)C2 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#8 C1P2C[N]34->[Ru+2]5<-[N]1(C3)C[N]->5(C2)C4 0.003
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#9 C1N2C[N]34->[Ru+2]<-[N](C2)(CP1C3)C4 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000
#10 C1N2CP3CN1C[N](->[Ru+2]<-[N]14CN5CN(CP(C5)C1)C4)(C2)C3 0.000