Molecule Details

Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1
MW: 317.15
Fraction sp3: 0.15
HBA: 3
HBD: 1
Rotatable Bonds: 5
TPSA: 54.88
cLogP: 3.56
Covalent Warhead:
Covalent Fragment:
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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O=C(Cc1ccccc1Cc1ccccn1)Nc1cnccc1CO

THO-SYG-cc9e9a11-5
0.686

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Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1Cc1ccccn1

THO-SYG-cc9e9a11-3
0.675

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.586

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.580

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.566

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Cc1ccncc1NC(=O)Cc1ccccc1CN1CCC(O)CC1

SAM-UNK-2684b532-9
0.512

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.507

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.487

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N#Cc1ccc(Cc2ccccn2)c(CC(=O)Nc2cnccc2CO)c1

THO-SYG-cc9e9a11-7
0.477

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Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1-c1ccccn1

THO-SYG-cc9e9a11-4
0.471

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.466

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.465

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Cc1ccncc1NC(=O)CC(C)C(C)C

MAT-POS-590ac91e-11
0.457

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.456

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.455

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.447

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.447

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.447

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.447

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.446

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.444

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Cc1ccncc1NC(=O)Cc1cccc(C(N)=O)c1

ANN-UNI-98d2bf15-2
0.443

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.442

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.442

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Cc1cc(CC(=O)Nc2cnccc2C)[nH]n1

EDJ-MED-c9f55a56-1
0.440

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.439

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.438

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.437

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Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.435

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CCCCOc1ccc(Cl)cc1CC(=O)Nc1cnccc1C

EDG-MED-0da5ad92-7
0.435

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.434

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.434

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.432

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.430

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

TRY-UNI-1fd04853-1
0.429

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Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.429

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Cc1ccncc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1

GAB-REV-70cc3ca5-20
0.429

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CCNc1ncc(C#N)cc1CC(=O)Nc1cnccc1C

PET-SGC-175e168c-1
0.429

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

DAR-DIA-0cde14eb-76
0.425

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

ALP-POS-95b75b4d-3
0.425

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Cc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

JAN-GHE-83b26c96-14
0.425

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.421

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Cc1ccncc1NC(=O)Cc1cccc(C#N)c1

TRY-UNI-714a760b-20
0.420

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.419

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CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1

DAR-DIA-0cde14eb-77
0.417

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Cc1ccncc1NC(=O)Cc1cccc(C(C)(F)F)c1

DAR-DIA-0cde14eb-79
0.415

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Cc1ccncc1NC(=O)Cc1cccc(S(N)(=O)=O)c1

EDJ-MED-e58735b6-3
0.415

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Cc1ccncc1NC(=O)Cc1cccc([S+](C)[O-])c1

DAR-DIA-0cde14eb-78
0.415

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Cc1ccncc1NC(=O)Nc1ccccc1

TRY-UNI-714a760b-4
0.411

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Cc1ccncc1NC(=O)Nc1ccccc1

ALE-HEI-f28a35b5-1
0.411

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Cc1ccncc1NC(=O)CC(C)(C)c1ccccc1

BEN-DND-93268d01-13
0.410

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Cc1ccncc1NC(=O)Cc1cccc(C2(C)CC2)c1

DAR-DIA-0cde14eb-1
0.410

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Cc1ccncc1NC(=O)Cc1cnn(C2(I)CC2)c1

DAR-DIA-0cde14eb-64
0.410

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Cc1ccncc1NC(=O)Cc1cccc(OC(F)(F)F)c1

ANN-UNI-98d2bf15-5
0.410

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Cc1ccncc1NC(=O)CCNC(=O)c1ccccc1F

PET-SGC-2e937068-1
0.410

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Cc1ccncc1NC(=O)Cc1cncc(C#N)c1

TRY-UNI-2eddb1ff-1
0.407

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Cc1ccncc1NC(=O)Cc1cccc(-c2cn[nH]c2)c1

EDJ-MED-e58735b6-4
0.407

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.406

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.406

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CNC(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-7
0.405

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Cc1ccncc1NC(=O)Cc1cccc(C2(F)CC2)c1

DAR-DIA-0cde14eb-2
0.405

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.403

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.403

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Cc1ccncc1NC(=O)Cc1ccncc1NC(=O)C(C)c1cccc(Cl)c1

MAK-UNK-f203cb68-4
0.402

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Cc1ccncc1NC(=O)Cc1cccc(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-3
0.400

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CC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-5
0.400

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Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.400

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.400

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Cc1ccncc1NC(=O)Cc1cccc(C2(I)CC2)c1

DAR-DIA-0cde14eb-4
0.400

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C(N)=O)c1

RAL-THA-6b94ceba-6
0.398

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COc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-c9973a83-1
0.398

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.397

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CC(=O)N1CCN(CC(=O)Nc2cnccc2C)CC1

BEN-DND-93268d01-8
0.397

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Cc1ccncc1NC(=O)CC1(C#N)CCC1

MAT-POS-590ac91e-15
0.397

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Cc1ccncc1NC(=O)NCCBr

ALE-HEI-f28a35b5-13
0.397

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Cc1ccncc1NC(=O)NC1(C#Cc2ccccn2)CC1

CHR-SOS-6c45c019-10
0.395

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(CNS(C)(=O)=O)c1

RAL-THA-6b94ceba-12
0.395

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CNS(=O)(=O)c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-14
0.395

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CNS(=O)(=O)Cc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-16
0.395

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.395

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Cc1ccncc1NC(=O)CNc1ccnc2ccccc12

GAB-REV-70cc3ca5-4
0.395

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.395

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CC(=O)CCCc1c[nH]c2c(CC(=O)Nc3cnccc3C)cccc12

RAM-SYN-2a37ce6c-3
0.394

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Cc1ccncc1NC(=O)Cc1cnn(C2(C)CC2)c1

DAR-DIA-0cde14eb-61
0.393

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.392

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Cc1ccncc1NC(=O)C(C)Cc1ccccc1

BEN-DND-93268d01-14
0.392

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Cc1ccncc1NC(=O)[C@@H](C)OC(F)F

MAT-POS-5d20d11c-1
0.392

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Cc1ccncc1NC(=O)[C@H](C)OC(F)F

MAT-POS-590ac91e-16
0.392

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COC(=O)NCc1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

RAL-THA-6b94ceba-8
0.391

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Cc1ccncc1NC(=O)CCc1cc(S(N)(=O)=O)ccc1Br

PET-SGC-83d43576-1
0.391

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.390

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Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.390

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.390

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CC(=O)Nc1ccc(NCC(=O)Nc2cnccc2C)cc1

GAB-REV-70cc3ca5-21
0.390

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.390

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.390

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.390

View
Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.390

View
Cc1ccncc1NC(=O)Cc1cnn(C2(Cl)CC2)c1

DAR-DIA-0cde14eb-62
0.388

View
Cc1ccncc1NC(=O)Cc1cnn(C2(F)CC2)c1

DAR-DIA-0cde14eb-63
0.388

View
Cc1ccncc1NC(=O)Cc1ccccc1CO

0.739

View
CCc1ccccc1CC(=O)Nc1cnccc1C

0.702

View
Cc1ccccc1CC(=O)Nc1cnccc1C

0.696

View
Cc1ccncc1NC(=O)Cc1cccnc1C

0.688

View
Cc1ccncc1NC(=O)Cc1csc(Cc2ccccn2)n1

0.685

View
Cc1ccncc1NC(=O)Cc1ccccc1C(F)(F)F

0.680

View
Cc1ccncc1NC(=O)CCc1ccccn1

0.673

View
Cc1ccncc1NC(=O)Cc1cccc2ccccc12

0.660

View
Cc1ccncc1NC(=O)Cc1cccnc1Br

0.660

View
Cc1ccncc1NC(=O)Cc1ccccc1F

0.653

View
Cc1ccncc1NC(=O)Cc1ccccc1Cl

0.653

View
Cc1ccncc1NC(=O)Cc1ccccc1I

0.653

View
Cc1ccncc1NC(=O)Cc1ccccc1Br

0.653

View
Cc1ccncc1NC(=O)CCCc1ccccn1

0.647

View
Cc1ccncc1NC(=O)Cc1ccccc1CC#N

0.647

View
COc1ccccc1CC(=O)Nc1cnccc1C

0.640

View
CC(=O)Nc1ccccc1CC(=O)Nc1cnccc1C

0.640

View
Cc1ccncc1NC(=O)Cc1cccc2cccnc12

0.635

View
Cc1ccncc1NC(=O)CSCc1ccccn1

0.635

View
Cc1ccncc1NC(=O)COCc1ccccn1

0.635

View
Cc1ccncc1NC(=O)NNC(=O)Cc1ccccn1

0.635

View
CSc1ccccc1CC(=O)Nc1cnccc1C

0.627

View
Cc1ccncc1NC(=O)Cc1ccc(OCc2ccccn2)cc1

0.625

View
Cc1ccncc1NC(=O)Cc1ccccc1COC(C)C

0.623

View
Cc1ccncc1NC(=O)C(=O)NNC(=O)Cc1ccccn1

0.623

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.617

View
Cc1ccncc1NC(=O)Cc1ccccc1NS(C)(=O)=O

0.615

View
Cc1ccncc1NC(=O)Cc1ccccc1S(C)=O

0.615

View
CCSc1ccccc1CC(=O)Nc1cnccc1C

0.615

View
C#Cc1ccccc1CC(=O)Nc1cnccc1C

0.615

View
Cc1ccncc1NC(=O)Cc1ccccc1S(C)(=O)=O

0.615

View
Cc1ccncc1NC(=O)CCSCc1ccccn1

0.611

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1F

0.608

View
Cc1ccncc1NC(=O)Cc1cccc(C)c1Cl

0.608

View
Cc1ccncc1NC(=O)NCc1ccccn1

0.608

View
Cc1ccncc1NC(=O)Cc1ccccc1[N+](=O)[O-]

0.604

View
Cc1ccncc1NC(=O)Cc1cn(C)c2ccccc12

0.604

View
COC(=O)c1ccccc1CC(=O)Nc1cnccc1C

0.604

View
Cc1ccc(C)c(CC(=O)Nc2cnccc2C)c1

0.600

View
Cc1ccncc1NC(=O)Cc1ccccc1OC1CCCC1

0.600

View
Cc1cnccc1NC(=O)Cc1ccccc1CO

0.600

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1Cl

0.596

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1C

0.596

View
Cc1ccncc1NC(=O)N(C)Cc1ccccn1

0.596

View
Cc1ccncc1NC(=O)C(=O)NCc1ccccn1

0.596

View
CCn1cc(CC(=O)Nc2cnccc2C)c2ccccc21

0.593

View
Cc1ccncc1NC(=O)Cc1ccccc1OC(C)C

0.593

View
Cc1ccncc1NC(=O)Cc1cnccc1Cl

0.592

View
CCc1ccccc1NC(=O)Cc1cnccc1C

0.588

View
Cc1ccncc1NC(=O)Cc1cnn(C)c1C

0.588

View
Cc1ccncc1NC(=O)NCCc1ccccn1

0.585

View
Cc1ccncc1NC(=O)Cc1ccccc1OC(F)F

0.582

View
Cc1ccncc1NC(=O)Cc1cccc([N+](=O)[O-])c1C

0.582

View
Cc1ccncc1NC(=O)Cc1c[nH]c2ncccc12

0.582

View
Cc1ccncc1NC(=O)CCC(=O)c1ccccn1

0.577

View
Cc1ccncc1NC(=O)Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.574

View
Cc1ccncc1NC(=O)Cc1c[nH]c2ccccc12

0.574

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1F

0.574

View
Cc1ccncc1NC(=O)NC(C)Cc1ccccn1

0.574

View
CCN(Cc1ccccn1)C(=O)Nc1cnccc1C

0.574

View
Cc1ccncc1NC(=O)C(=O)NCCc1ccccn1

0.574

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccc2ccccc12

0.571

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.571

View
Cc1cc(C)c(CC(=O)Nc2cnccc2C)c(C)c1

0.571

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.571

View
Cc1ccncc1NC(=O)Cc1ccccc1NC(=O)OC(C)(C)C

0.571

View
Cc1ccncc1NC(=O)Cc1ccccc1C(=O)OC(C)(C)C

0.571

View
Cc1ccncc1NC(=O)Cc1csc(-c2ccccn2)n1

0.569

View
Cc1cnccc1NC(=O)Cc1csc(Cc2ccccn2)n1

0.569

View
Cc1ccccc1CCC(=O)Nc1cnccc1C

0.569

View
CCc1ccccc1CC(=O)Nc1ccncc1C

0.569

View
Cc1ccncc1CC(=O)Nc1ccccc1C(C)(C)C

0.566

View
COc1ccc(C)cc1CC(=O)Nc1cnccc1C

0.566

View
Cc1ccc(F)c(CC(=O)Nc2cnccc2C)c1

0.566

View
Cc1ccc(CC(=O)Nc2cnccc2C)c(Cl)c1

0.566

View
Cc1ccncc1NC(=O)Cc1ncccc1F

0.566

View
Cc1ccncc1NC(=O)Cc1coc2ccccc12

0.564

View
Cc1ccncc1CC(=O)NC(C)Cc1ccccn1

0.564

View
Cc1ccncc1NC(=O)N(Cc1ccccn1)C(C)C

0.564

View
Cc1ccncc1NC(=O)C(=O)N(C)Cc1ccccn1

0.564

View
Cc1ccncc1NC(=O)C(=O)NC(C)Cc1ccccn1

0.564

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.562

View
COc1ccc2cccc(CC(=O)Nc3cnccc3C)c2c1

0.561

View
Cc1cnccc1CC(=O)Nc1ccccc1C

0.560

View
Cc1cc(C)cc(CC(=O)Nc2cnccc2C)c1

0.560

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.560

View
Cc1ccccc1CC(=O)Nc1ccncc1C

0.560

View
Cc1ccccc1CC(=O)Nc1ccncc1F

0.558

View
CCc1ccccc1NC(=O)Cc1ccncc1C

0.558

View
Cc1ccncc1NC(=O)Cc1ccc(-c2ccccc2)cc1

0.558

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.558

View
Cc1ccncc1NC(=O)Cc1cc(F)c(F)cc1F

0.558

View
Cc1cnccc1NC(=O)Cc1cccnc1C

0.558

View
Cc1ccccc1CC(=O)Nc1cnccc1O

0.558

View
Cc1ccncc1NC(=O)CCSc1ccccn1

0.556

View
COc1cccc(CC(=O)Nc2cnccc2C)n1

0.556

View
Cc1ccncc1CC(=O)Nc1ccccc1CC(F)(F)F

0.556

View
Cc1ccncc1CC(=O)NCCc1ccccn1

0.556

View
Cc1cnccc1NC(=O)Cc1ccccc1C(F)(F)F

0.556

View
Cc1ccncc1NC(=O)Cc1coc(-c2ccccc2)n1

0.554

View

C(NC1=C(C)C=CN=C1)(=O)CC1=C(C)C=CC=C1

0.766

View
C(NC1=C(C)C=CN=C1)(=O)CC1=CC=C(C)C=C1C

0.727

View
C(NC1=C(C)C=CN=C1)(=O)CC1C(C)=CC=C(C)C=1

0.722

View
C(NC1C(C)=C(C)C(C)=NC=1)(=O)CC1=C(C)C=CC=C1

0.720

View
C(NC1=CN=CC(Cl)=C1C)(=O)CC1=C(C)C=CC=C1

0.717

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Discussion: