homecomplexesD-MPNN

D-MPNN Donor Prediction

Sequential multi-lig (7058) — 7058 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
87
Exact (1.0)
2026
Partial (>0)
4945
No match
0.159
Mean score
Reset
#6651 6 Os(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6652 7 Os(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6653 8 Os(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6654 9 Os(2) — 2 candidates
GT: {"N": 1, "S": 1} Pred: {"S": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6657 1b Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6658 2b Os(2) — 2 candidates
GT: {"N": 1} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6659 1b Os(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6660 2b Os(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6661 3b Os(2) — 2 candidates
GT: {"N": 5} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6662 1 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6663 2 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6664 3 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6666 H2ind[2] Os(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6668 H2bzim[4] Os(3) — 2 candidates
GT: {"N": 4} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6669 1 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6670 2 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6671 3 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6672 4 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6673 5 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6674 6 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6675 7 Os(2) — 2 candidates
GT: {"N": 1} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6676 8 Os(2) — 3 candidates
GT: {"N": 1, "O": 2} Pred: {"N": 2, "O": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6677 1-Cl Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6678 1-VP Os(2) — 3 candidates
GT: {"O": 1, "N": 3} Pred: {"O": 3, "N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6679 1 Os(2) — 0 candidates
GT: {"N": 2, "O": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6680 2 Os(2) — 0 candidates
GT: {"N": 2, "O": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6681 3 Os(2) — 0 candidates
GT: {"N": 2, "O": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6682 4 Os(2) — 0 candidates
GT: {"N": 2, "O": 1} Pred: {}
0.00
Candidates → Complex detail MOL 3D Viewer
#6683 3 Os(2) — 2 candidates
GT: {"N": 2} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6684 4 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6685 (2) [Os(η6-p-cym)(5-MeO-AZPY)I]CF3SO3 Os(2) — 2 candidates
GT: {"N": 3} Pred: C:6(eta)
0.00
Candidates → Complex detail MOL 3D Viewer
#6686 (4) [Os(η6-p-cym)(5-EtO-AZPY)Br]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6687 (9) [Os(η6-bip)(5-EtO-AZPY)I]CF3SO3 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6688 (10) [Os(η6-p-cym)(5-nPrO-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6689 (11) [Os(η6-p-cym)(5-iPrO-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6690 (13) [Os(η6-p-cym)(5-HOCH2CH2O-AZPY)Cl]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6691 (14) [Os(η6-p-cym)(5-HOCH2CH2O-AZPY)Br]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6692 (15) [Os(η6-p-cym)(5-HOCH2CH2O-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6693 (16) [Os(η6-bip)(5-HOCH2CH2O-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6694 (17) [Os(η6-p-cym)(5-HO{CH2CH2O}2-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6695 (18) [Os(η6-p-cym)(5-MeO{CH2CH2O}2-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6696 (19) [Os(η6-p-cym)(5-EtO{CH2CH2O}2-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6697 (20) [Os(η6-bip)(5-EtO{CH2CH2O}2-AZPY)I]CF3SO3 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6698 (21) [Os(η6-p-cym)(5-HO{CH2CH2O}3-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6699 (22) [Os(η6-p-cym)(5-MeO{CH2CH2O}3-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 4}
0.00
Candidates → Complex detail MOL 3D Viewer
#6700 (23) [Os(η6-p-cym)(5-EtO{CH2CH2O}3-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6701 (24) [Os(η6-p-cym)(5-HO{CH2CH2O}4-AZPY)I]PF6 Os(2) — 2 candidates
GT: {"N": 3} Pred: {"N": 2}
0.00
Candidates → Complex detail MOL 3D Viewer
#6708 Os-4 Os(2) — 3 candidates
GT: {"N": 8} Pred: {"N": 8}
0.00
Candidates → Complex detail MOL 3D Viewer
#6710 1b Os(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
#6711 2b Os(2) — 2 candidates
GT: {"N": 3} Pred: {"S": 1, "N": 1}
0.00
Candidates → Complex detail MOL 3D Viewer
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