home← all results complex #149

Complex #149 — Ru(2) [GA105]

GT: {"N": 2, "P": 2} → Top-1: {"P": 2}
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)
58
Candidates
{"N": 2, "P": 2}
Ground Truth
{"P": 2}
Top-1 Prediction
1.000
Match Score
⬇ MOL (coordinated) Raw MOL 🔬 3D Viewer Complex detail
#1 TOP-1 1.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)[P](->[Ru+2]<-[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
#1 TOP-1 0.76 ± 0.28
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)[P](c3ccccc3)(c3ccccc3)->[Ru+2]3(<-[cH]4c(C)ccc(C(C)C)[cH]->3...
#2 0.02 ± 0.03
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)[P](->[Ru+2])(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#2 0.50 ± 0.49
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)[P](c3ccccc3)(c3ccccc3)->[Ru+2]34567(<-[cH]8[cH]->3[c]->4(C(C...
#3 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2c[cH]3->[Ru+]4<-[cH](c2)[cH]->43)P(c2ccccc2)c2cc...
#3 0.08 ± 0.19
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)[P](c3ccccc3)(c3ccccc3)->[Ru+2](<-[cH]3cc(C)ccc3C(C)C)<-[P]2(...
#4 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(OC)=[O]->[Ru+2])cc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#4 0.03 ± 0.07
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)[P](c3ccccc3)(c3ccccc3)->[Ru+2](<-[cH]3cc(C(C)C)ccc3C)<-[P]2(...
#5 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2cc[cH]3->[Ru+]4<-[cH]2[cH]->43)P(c2ccccc2)c2cccc...
#6 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)[cH]3->[Ru+2]<-[cH]23)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#7 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccc[cH]3->[Ru+2]<-[cH]23)P(c2ccccc2)c2ccccc2)cc1
#8 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2cc[cH]3->[Ru+2]<-[cH]3c2)P(c2ccccc2)c2ccccc2)cc1
#9 0.00 ± 0.00
COC1=[O]->[Ru+2]<-[O]=C(OC)c2ccc(CN(CCN(Cc3ccc1cc3)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)cc2
#10 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P(C2=C[CH]3[Ru+2][CH]3C=C2)c2ccccc2)cc1
#11 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P(C2=CC=C[CH]3[Ru+2][CH]23)c2ccccc2)cc1
#12 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2c[cH]3->[Ru+2]45<-[cH]2[cH]->4[cH]->53)P(c2ccccc...
#13 0.00 ± 0.00
COC1=[O]->[Ru+2]<-[O](C)C(=O)c2ccc(CN(CCN(Cc3ccc1cc3)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)cc2
#14 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)[O](C)->[Ru+2])cc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#15 0.00 ± 0.00
COC(=O)c1ccc2CN(CCN(Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]1c2)<-[cH]34)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c...
#16 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)[cH](->[Ru+2]4<-[cH]5ccc(P2c2ccccc2)c[cH]->45)c3)P(c2ccccc2)c2ccc...
#17 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)[cH](->[Ru+2]4<-[cH]5ccc(P2c2ccccc2)c[cH]->45)c3)P(c2ccccc2)c2ccc...
#18 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)[cH](->[Ru+2])c2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#19 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)[cH](->[Ru+2]4<-[cH]5cccc(P2c2ccccc2)[cH]->45)c3)P(c2ccccc2)c2ccc...
#20 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)[cH](->[Ru+2]4<-[cH]5cccc(P2c2ccccc2)[cH]->45)c3)P(c2ccccc2)c2ccc...
#21 0.00 ± 0.00
COC(=O)c1ccc2CN(CCN(Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]2c1)<-[cH]34)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c...
#22 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2cccc[cH]2->[Ru+2])P(c2ccccc2)c2ccccc2)cc1
#23 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)c[cH]2->[Ru+2])P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
#24 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P(C2=C[CH]3[CH]4[CH]5[CH]2[Ru+2]345)c2ccc...
#25 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2cc[cH](->[Ru+2])cc2)P(c2ccccc2)c2ccccc2)cc1
#26 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)c[cH]3->[Ru+2]3<-[cH]4ccc(P2c2ccccc2)c[cH]->34)P(c2ccccc2)c2ccccc...
#27 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)c[cH]3->[Ru+2]3<-[cH]4ccc(P2c2ccccc2)c[cH]->34)P(c2ccccc2)c2ccccc...
#28 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5cccc(P2c2ccccc2)c5)<-[cH]34)P(c2ccccc2)c2ccc...
#29 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5cccc(P2c2ccccc2)c5)<-[cH]34)P(c2ccccc2)c2ccc...
#30 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)c[cH]3->[Ru+2]3<-[cH]4cccc(P2c2ccccc2)[cH]->34)P(c2ccccc2)c2ccccc...
#31 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)c[cH]3->[Ru+2]3<-[cH]4cccc(P2c2ccccc2)[cH]->34)P(c2ccccc2)c2ccccc...
#32 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5ccccc5P2c2ccccc2)<-[cH]34)P(c2ccccc2)c2ccccc...
#33 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5ccccc5P2c2ccccc2)<-[cH]34)P(c2ccccc2)c2ccccc...
#34 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5ccc(P2c2ccccc2)cc5)<-[cH]34)P(c2ccccc2)c2ccc...
#35 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN2Cc3ccc(C(=O)OC)[cH]4->[Ru+2](<-[cH]5ccc(P2c2ccccc2)cc5)<-[cH]34)P(c2ccccc2)c2ccc...
#36 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3cccc[cH]3->[Ru+2]3<-[cH]4cccc2[cH]->34)P(c2ccccc2)c2ccccc...
#37 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3ccc[cH]4->[Ru+2](<-[cH]5cccc(P2c2ccccc2)c5)<-[cH...
#38 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3cc[cH]4->[Ru+2](<-[cH]5cccc(P2c2ccccc2)c5)<-[cH]...
#39 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3ccc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)c3)P(c2ccccc2)c2ccc...
#40 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3cccc[cH]3->[Ru+2]3<-[cH]4ccc(P2c2ccccc2)c[cH]->3...
#41 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3ccc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)c3)P(c2ccccc2)c2ccc...
#42 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3cc[cH]4->[Ru+2](<-[cH]5ccccc52)<-[cH]4c3)P(c2ccccc2)c2ccc...
#43 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3ccc[cH]4->[Ru+2](<-[cH]5ccccc5P2c2ccccc2)<-[cH]3...
#44 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3cc[cH](->[Ru+2]4<-[cH]5cccc2[cH]->45)cc3)P(c2ccccc2)c2ccc...
#45 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccc[cH](->[Ru+2])c2)P(c2ccccc2)c2ccccc2)cc1
#46 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3ccc[cH]4->[Ru+2](<-[cH]5ccc(P2c2ccccc2)cc5)<-[cH...
#47 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P2c3cc[cH](->[Ru+2]4<-[cH]5ccc2c[cH]->45)cc3)P(c2ccccc2)c2ccc...
#48 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)c3cc[cH]4->[Ru+2](<-[cH]5ccc(P2c2ccccc2)cc5)<-[cH]...
#49 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)C3=C[CH]4[CH](C=C3)[Ru+2]43[CH]4C=CC(=C[CH]43)P2c2...
#50 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)C3=CC=C[CH]4[CH]3[Ru+2]43[CH]4C=CC=C([CH]43)P2c2cc...
#51 0.00 ± 0.00
COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)cc3)P(c3ccccc3)C3=CC=C[CH]4[CH]3[Ru+2]43[CH]4C=CC(=C[CH]43)P2c2cc...
#52 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P2C3=CC=C[CH]4[CH]3[Ru+2]43[CH]4C=CC=C2[C...
#53 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P2C3=C[CH]4[CH](C=C3)[Ru+2]43[CH]4C=CC=C2...
#54 0.00 ± 0.00
COC(=O)c1ccc(CN(CCN(Cc2ccc(C(=O)OC)cc2)P(c2ccccc2)c2ccccc2)P2C3=C[CH]4[CH](C=C3)[Ru+2]43[CH]4C=CC2=C...