Molecule Details

O=C(Nc1cccnc1)Nc1cccc(Cc2ccccc2O)c1
3-aminopyridine-like
Molecular Properties
SMILES:
O=C(Nc1cccnc1)Nc1cccc(Cc2ccccc2O)c1
MW: 319.13
Fraction sp3: 0.05
HBA: 3
HBD: 3
Rotatable Bonds: 4
TPSA: 74.25
cLogP: 4.02
Covalent Warhead:
Covalent Fragment:
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

View

CC1CC=C(Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1

WIL-UNI-5578df48-25
0.571

View
NC(=O)NC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-28
0.569

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NC(=O)[C@@H](F)CCc1cccc(NC(=O)Nc2cccnc2)c1

BAR-COM-21d20d65-9
0.560

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O=C(Nc1cccnc1)Nc1cccc(CCC2(CO)CC2)c1

BAR-COM-21d20d65-4
0.560

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O=C(Nc1cccnc1)Nc1cccc(CCC(O)CCO)c1

WIL-UNI-5578df48-24
0.560

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Cc1ncc(CCc2cccc(NC(=O)Nc3cccnc3)c2)[nH]1

BAR-COM-21d20d65-5
0.553

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NC1([C@H](O)CCc2cccc(NC(=O)Nc3cccnc3)c2)CC1

BAR-COM-21d20d65-1
0.551

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CN(CCc1cccc(NC(=O)Nc2cccnc2)c1)C(N)=O

BAR-COM-21d20d65-8
0.539

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C[C@]1(CCc2cccc(NC(=O)Nc3cccnc3)c2)NC[C@@H]1O

BAR-COM-21d20d65-2
0.538

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N#CC1(CCc2cccc(NC(=O)Nc3cccnc3)c2)CCC1

BAR-COM-21d20d65-7
0.532

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

JOR-UNI-2fc98d0b-7
0.530

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

DAR-DIA-23aa0b97-14
0.530

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

JAN-GHE-83b26c96-19
0.530

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

WAR-XCH-eb7b662f-7
0.530

View
O=C(Nc1cccnc1)Nc1cccc(CCCc2ccc[nH]2)c1

BAR-COM-21d20d65-3
0.526

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CCC[C@](C)(O)CCc1cccc(NC(=O)Nc2cccnc2)c1

BAR-COM-21d20d65-6
0.526

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CN1CCN(C(=O)Cc2cccc(NC(=O)Nc3cccnc3)c2)CC1

SAD-SAT-135344c3-7
0.525

View
Cc1cccc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-6
0.507

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

JOR-UNI-61e7b1d5-2
0.500

View
O=C(Nc1cccnc1)Nc1cccc(CN2CCCC(O)C2)c1

WIL-UNI-5578df48-30
0.500

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NC1=[SH]C(Cc2cccc(NC(=O)Nc3cccnc3)c2)C(=O)N1

WIL-UNI-5578df48-29
0.500

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

DAR-DIA-23aa0b97-5
0.500

View
N#Cc1cccc(NC(=O)Nc2cccnc2)c1

ANN-UNI-26382800-4
0.500

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N#Cc1cccc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-1
0.500

View
NC1=NC(Cc2cccc(NC(=O)Nc3cccnc3)c2)C(=O)N1

WIL-UNI-5578df48-27
0.494

View
O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11
0.492

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CC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-21
0.486

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N#Cc1ccc(NCc2cccc(NC(=O)Nc3cccnc3)c2)nc1

MAK-UNK-30aad1f1-6
0.471

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COC(C)(C)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-22
0.459

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CC(C)(C#N)c1cccc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-19
0.442

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O=C(Nc1cccnc1)Nc1cccc(C2C=CC(=O)O2)c1

WIL-UNI-5578df48-20
0.438

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O=C(Nc1cccnc1)Nc1cc(Cl)cc(Cl)c1

WAR-XCH-eb7b662f-3
0.435

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N#Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-10dfa458-24
0.434

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O=C(Nc1cccnc1)Nc1cncc(Cl)c1

DAR-DIA-23aa0b97-15
0.429

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O=C(Nc1cccnc1)Nc1ccccc1CS(=O)(=O)F

JIA-UNI-12b1f9ae-1
0.429

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Cn1cc(NC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-2
0.429

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CC(=O)Nc1cnccc1-c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-129dcd6f-2
0.427

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Cc1ccncc1NC(=O)c1cccc(NC(=O)Nc2cccnc2)c1

MAK-UNK-129dcd6f-9
0.427

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O=C(Nc1cccnc1)Nc1cccc2c1C2

SAD-SAT-cefd50cc-1
0.427

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O=C(Nc1cccnc1)Nc1cc(O)cc(Cl)c1

WAR-XCH-eb7b662f-4
0.425

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O=C(Nc1cccnc1)Nc1ccsc1

DAR-DIA-842b4336-1
0.420

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NC1NCC(c2cccc(NC(=O)Nc3cccnc3)c2)O1

WIL-UNI-5578df48-23
0.417

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O=C(Nc1cccnc1)Nc1ccncc1Cl

MAK-UNK-d1e89583-4
0.417

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O=C(Nc1cccnc1)Nc1csc(Cl)c1

MAK-UNK-d1e89583-7
0.417

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NC(=O)NC(=O)Cc1ccc(NC(=O)Nc2cccnc2)cc1

WIL-UNI-5578df48-15
0.416

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NS(=O)(=O)c1ccc2ccc(NC(=O)Nc3cccnc3)cc2c1

SAD-SAT-f25ee457-8
0.412

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CN1CCN(S(=O)(=O)c2cccc(NC(=O)Nc3cccnc3)c2)CC1

MAK-UNK-009ebe36-2
0.412

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O=C(Nc1cccnc1)Nc1ccsc1Cl

MAK-UNK-d1e89583-2
0.411

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N#Cc1cncc(NC(=O)Nc2cccnc2)c1

CHR-SOS-363cfb78-1
0.405

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Cc1coc(NC(=O)Nc2cccnc2)n1

DAR-DIA-842b4336-7
0.405

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O=C(Nc1cccnc1)Nc1ccccc1CCN1CC(O)C1

BAR-COM-5694a99d-1
0.405

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O=C(Nc1cccnc1)Nc1ccccc1CCC1(O)CNC1

BAR-COM-5694a99d-5
0.405

View
N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

JOH-UNK-14e6adc5-2
0.403

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N#Cc1ccc(NC(=O)Nc2cccnc2)cc1

ANN-UNI-26382800-3
0.403

View
CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-5
0.402

View
O=C(Cc1ccccc1)Nc1cccnc1

SAN-PRS-52b81272-2
0.400

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Cc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-5
0.400

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N#Cc1ccc(Nc2cccc(NC(=O)Nc3cccnc3)c2)nc1

MAK-UNK-30aad1f1-8
0.400

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Nn1c(Cc2ccc(NC(=O)Nc3cccnc3)cc2)n[nH]c1=O

WIL-UNI-5578df48-18
0.398

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CC(C)[C@H](O)CCc1ccccc1NC(=O)Nc1cccnc1

BAR-COM-5694a99d-4
0.398

View
N#Cc1ccc(NC(=O)Nc2cccnc2)o1

DAR-DIA-842b4336-9
0.395

View
CC(C)(O)COCc1ccccc1NC(=O)Nc1cccnc1

BAR-COM-5694a99d-3
0.393

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O=C(NCCc1ccccc1Cl)Nc1cccnc1

MAK-UNK-d1e89583-8
0.392

View
O=C(NC/C=C/Cl)Nc1cccnc1

MAK-UNK-d1e89583-1
0.389

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N=C(N)NCCc1ccc(NC(=O)Nc2cccnc2)cc1

WIL-UNI-5578df48-14
0.388

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O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.387

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O=C(Nc1cccnc1)Nc1nc(Cl)co1

DAR-DIA-842b4336-8
0.387

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Cn1cc(CC(=O)Nc2cccnc2)cn1

DAR-DIA-842b4336-11
0.387

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O=C(NCCBr)Nc1cccnc1

ALE-HEI-f28a35b5-15
0.386

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O=C(Nc1ccc(CNC(=O)C2CCC2)cc1)Nc1cccnc1

WIL-UNI-5578df48-17
0.386

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O=C(Nc1cccnc1)Nc1ccccc1-c1cccc(=O)[nH]1

HUB-UNK-9845d277-3
0.386

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N#Cc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1

WAR-XCH-eb7b662f-2
0.385

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CC(C)(C)c1cc(N)cc(NC(=O)Nc2cccnc2)c1

SAD-SAT-689b7d5a-3
0.385

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O=C(Nc1cccnc1)Nc1ccc(Cl)s1

DAR-DIA-842b4336-4
0.384

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Cc1ccc(NC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-3
0.384

View
CC(C)c1ccc(C(N)=O)cc1NC(=O)Nc1cccnc1

IAN-BAS-df1706d7-1
0.383

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CC(=O)Nc1cnccc1-c1ccccc1NC(=O)Nc1cccnc1

MAK-UNK-129dcd6f-5
0.381

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CCNc1ncc(C#N)cc1NC(=O)Nc1cccnc1

JOR-UNI-61e7b1d5-1
0.381

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Cc1c(NC(=O)Nc2cccnc2)ccc2ccc(S(N)(=O)=O)cc12

SAD-SAT-f25ee457-7
0.379

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COc1c(NC(=O)Nc2cccnc2)cc(C(C)(C)C)cc1C(C)(C)C

SAD-SAT-689b7d5a-8
0.378

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CC(C)(C#N)c1cc(CC(=O)NC(N)=O)cc(NC(=O)Nc2cccnc2)c1

WIL-UNI-5578df48-31
0.378

View
CNC(=O)c1ccccc1C(=O)c1ccccc1NC(=O)Nc1cccnc1

STE-LAU-aafa5dff-1
0.376

View
NS(=O)(=O)c1cccc(CCNC(=O)Nc2cccnc2)c1

SAD-SAT-135344c3-10
0.376

View
NS(=O)(=O)c1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-2
0.375

View
CC(C)(C)CC(=O)N(CC(N)=O)Cc1ccccc1NC(=O)Nc1cccnc1

SAD-SAT-689b7d5a-1
0.374

View
CC(=O)Nc1cnccc1-c1ccc(NC(=O)Nc2cccnc2)cc1

MAK-UNK-129dcd6f-3
0.373

View
O=C(Cc1ccccc1Cl)Nc1cccnc1

MAK-UNK-a7b37c5e-1
0.373

View
Cc1nnc(NC(=O)Nc2cccnc2)s1

ALE-HEI-f28a35b5-4
0.373

View
N#Cc1coc(NC(=O)Nc2cccnc2)n1

DAR-DIA-842b4336-6
0.372

View
NS(=O)(=O)Cc1cccc(CC(=O)Nc2cccnc2)c1

CHA-MCP-85291e1d-5
0.370

View
O=C(Nc1cccnc1)Nc1cccc(N2CCN(C(=O)Cc3c[nH]c4ncccc34)CC2)c1

MAK-UNK-de8f6d00-2
0.370

View
CC(C)(C#N)c1cc(NC(=O)Nc2cccnc2)ccc1CC(=O)NC(N)=O

WIL-UNI-5578df48-32
0.370

View
O=C(CC(=O)Nc1cccnc1)Nc1cccnc1

MAR-TRE-67513f76-81
0.369

View
N#Cc1ccc(NC(=O)Nc2cccnc2)s1

DAR-DIA-842b4336-5
0.368

View
O=C(Nc1ccc(Cn2cc(CF)nn2)cc1)Nc1cccnc1

WIL-UNI-5578df48-16
0.368

View
O=C(Nc1cccnc1)Nc1cccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)c1

MAK-UNK-37f1d6fa-6
0.366

View
O=C(Nc1cccnc1)NC1(Cc2ccccc2)CCOCC1

NAU-LAT-445f63e5-6
0.365

View
O=C(Cc1ccccc1C(=O)O)Nc1cccnc1

MAK-UNK-a7b37c5e-2
0.364

View
O=C(NCc1ccccc1S(=O)(=O)N1CCCC1)Nc1cccnc1

SAD-SAT-135344c3-3
0.364

View
O=C(Nc1cccnc1)Nc1cccc(-c2nnc(CN3CCC=C(F)C3)s2)c1

MAK-UNK-ae34c249-2
0.363

View
O=C(NCc1ccccc1O)Nc1cccnc1

0.646

View
O=C(O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.646

View
CCc1cccc(NC(=O)Nc2cccnc2)c1

0.638

View
NCc1cccc(NC(=O)Nc2cccnc2)c1

0.638

View
O=C(Nc1cccnc1)Nc1cccc(COCc2ccccc2)c1

0.620

View
O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)Nc1cccnc1

0.620

View
O=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1

0.620

View
O=C(Nc1cccnc1)Nc1cccc(CC(F)(F)F)c1

0.612

View
O=C(Nc1cccnc1)Nc1cccc(O)c1

0.609

View
O=C(Nc1cccnc1)Nc1cccc(COc2ccccc2)c1

0.608

View
O=C(Nc1cccnc1)Nc1cccc(CS(=O)Cc2ccccc2)c1

0.608

View
O=C(Cc1ccccc1O)Nc1cccnc1

0.604

View
CN(C)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.600

View
COCc1cccc(NC(=O)Nc2cccnc2)c1

0.600

View
CSCc1cccc(NC(=O)Nc2cccnc2)c1

0.600

View
CS(=O)(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.600

View
O=C(Nc1cccnc1)Nc1cccc(CS(=O)(=O)c2ccccc2)c1

0.596

View
CC(C)(C)OCc1cccc(NC(=O)Nc2cccnc2)c1

0.596

View
COc1ccc(NC(=O)Nc2cccnc2)cc1Cc1ccccc1

0.593

View
CS(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.588

View
O=C(Nc1cccnc1)c1cc(Cc2ccccc2)ccc1O

0.585

View
O=C(CCc1ccccc1O)NNC(=O)Nc1cccnc1

0.585

View
O=C(Nc1cccnc1)Nc1cccc(CS(=O)c2ccccc2)c1

0.585

View
COC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.577

View
CCSCc1cccc(NC(=O)Nc2cccnc2)c1

0.577

View
O=C(Nc1cccnc1)Nc1cccc(CCC(F)(F)F)c1

0.577

View
O=C(NCc1ccccc1O)Nc1cccc(OCc2cccnc2)c1

0.576

View
O=C(Nc1cccnc1)Nc1cccc(COCCc2ccccc2)c1

0.574

View
O=C(NCc1ccncc1)Nc1cccc(CNCc2ccccc2O)c1

0.571

View
O=C(Cc1ccccc1O)NCc1cccc(NC(=O)c2cccnc2)c1

0.569

View
O=C(NCc1ccccc1O)C(=O)Nc1cccnc1

0.569

View
CC(C)S(=O)(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.566

View
CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.566

View
O=C(Nc1cccnc1)Nc1cccc(Cn2cccn2)c1

0.566

View
CC(C)OCc1cccc(NC(=O)Nc2cccnc2)c1

0.566

View
CC(C)SCc1cccc(NC(=O)Nc2cccnc2)c1

0.566

View
O=C(Nc1cccnc1)Nc1cccc(CCN2CCCC2)c1

0.566

View
O=C(Nc1cccnc1)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1

0.566

View
O=C(Nc1cccnc1)Nc1cccc(CN2CCC(O)CC2)c1

0.564

View
O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)NCc1ccccc1O

0.564

View
O=C(Nc1cccnc1)Nc1cccc(-c2ccccc2)c1

0.562

View
O=C(Nc1cccnc1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1

0.561

View
Cc1cc(NC(=O)Nc2cccnc2)ccc1O

0.560

View
O=C(Nc1cccnc1)Nc1ccc(O)c(Cl)c1

0.560

View
O=C(NCc1cccc(O)c1)Nc1cccnc1

0.558

View
O=C(NCc1cccc(NC(=O)NCc2ccncc2)c1)Nc1cccnc1

0.558

View
O=C(NCc1cccnc1)NCc1cccc(NC(=O)Nc2ccccc2)c1

0.558

View
O=C(NCc1cccc(NC(=O)Nc2ccccc2)c1)NCc1ccccc1O

0.558

View
O=C(Nc1cccnc1)Nc1cccc(Cn2cncn2)c1

0.556

View
Cc1cccc(NC(=O)Nc2cccc(CNC(=O)Nc3cccnc3)c2)c1

0.556

View
CCOC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.556

View
CC(C)(C)S(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.556

View
O=C(Nc1cccnc1)Nc1cccc(COCCOc2ccccc2)c1

0.554

View
CC(C)OCc1cc(NC(=O)Nc2cccnc2)ccc1O

0.554

View
O=C(Nc1cccnc1)Nc1cccc(I)c1

0.553

View
O=C(Nc1cccnc1)c1ccccc1Cc1ccccc1

0.549

View
CCSc1cccc(NC(=O)Nc2cccnc2)c1

0.549

View
O=C(Nc1cccnc1)Nc1cccnc1

0.548

View
O=C(NCC(O)Cc1ccccc1)Nc1cccnc1

0.547

View
O=C(Nc1cccnc1)Nc1cccc(OCc2cccnc2)c1

0.547

View
O=C(Cc1ccccc1O)NCC(=O)Nc1cccnc1

0.547

View
O=C(Cc1ccccc1O)NCc1cccc(NC(=O)Nc2ccccc2)c1

0.547

View
CC(=O)Nc1cccc(CNC(=O)Nc2cccnc2)c1

0.547

View
CN(Cc1ccccc1O)C(=O)Nc1cccnc1

0.547

View
O=C(NC[C@H](O)Cc1ccccc1)Nc1cccnc1

0.547

View
O=C(NC[C@@H](O)Cc1ccccc1)Nc1cccnc1

0.547

View
O=C(Nc1ccccc1)Nc1cccc(CNC(=O)C(=O)NCc2cccnc2)c1

0.547

View
O=C(Nc1ccccc1)Nc1cccnc1

0.545

View
CCOCCOCc1cccc(NC(=O)Nc2cccnc2)c1

0.545

View
COCCOCc1cccc(NC(=O)Nc2cccnc2)c1

0.545

View
CC(C)(C)OC(=O)Cc1cccc(NC(=O)Nc2cccnc2)c1

0.545

View
O=C(NCc1cccc(NC(=O)c2ccccc2)c1)Nc1cccnc1

0.545

View
O=C(Cc1ccccc1O)NCc1cccc(NC(=O)NCc2ccncc2)c1

0.544

View
O=C(Cc1ccccc1O)Nc1cccc(OCc2cccnc2)c1

0.542

View
CC(=O)Nc1cccc(NC(=O)Nc2cccnc2)c1

0.542

View
O=C(Nc1cccnc1)Nc1cccc(Cl)c1

0.542

View
O=C(Nc1cccnc1)Nc1cccc(F)c1

0.542

View
O=C(Nc1cccnc1)Nc1cccc(NC(=O)c2ccccc2)c1

0.540

View
CCc1cccc(NC(=O)C(=O)Nc2cccnc2)c1

0.540

View
O=C(CCc1ccccc1O)NNC(=O)Nc1cccc(OCc2cccnc2)c1

0.540

View
O=C(Cc1cccnc1)Nc1cccc(NC(=O)Nc2ccccc2)c1

0.538

View
O=C(NCc1cccnc1)Nc1cccc(NC(=O)Nc2ccccc2)c1

0.538

View
O=C(Nc1cccnc1)C(=O)Nc1cccc(CCCc2ccccc2)c1

0.538

View
O=C(Cc1cccnc1)NCc1cccc(NC(=O)Nc2ccccc2)c1

0.537

View
O=C(NCCc1cccc(O)c1)Nc1cccnc1

0.537

View
CN(Cc1cccc(NC(=O)Nc2cccnc2)c1)C(=O)C(F)(F)F

0.536

View
O=C(Nc1cccnc1)Nc1cccc(COC2CCCCC2)c1

0.536

View
O=C(Nc1cccnc1)Nc1cccc(COCC2CC2)c1

0.536

View
O=C(Nc1cccnc1)Nc1cccc(CSC2CCCC2)c1

0.536

View
CC(Cc1cccc(O)c1)NC(=O)Nc1cccnc1

0.536

View
CN(CCC(=O)Nc1cccnc1)Cc1ccccc1O

0.536

View
CCCN(Cc1ccccc1O)C(=O)Nc1cccnc1

0.536

View
O=C(Nc1cccnc1)Nc1cccc(CN2CCC(O)C2)c1

0.534

View
O=C(Cc1ccccc1O)NCc1ccc(C(=O)Nc2cccnc2)cc1

0.534

View
O=C(Nc1ccc(O)cc1)Nc1cccnc1

0.532

View
O=C(Nc1cccnc1)Nc1ccc2ccccc2c1

0.531

View
O=C(NCC(O)CNC(=O)Nc1cccnc1)Nc1cccnc1

0.531

View
O=C(NCc1ccccc1)Nc1cccnc1

0.531

View
O=C(Nc1cccnc1)Nc1cccc(Oc2ccccc2)c1

0.529

View
O=C(NCc1ccccc1CO)Nc1cccnc1

0.529

View


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