Molecule Details

Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1
3-aminopyridine-like
Molecular Properties
SMILES:
Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1
MW: 281.315
Fraction sp3: 0.19
HBA: 4
HBD: 1
Rotatable Bonds: 3
TPSA: 68.02
cLogP: 3.02084
Covalent Warhead:
Covalent Fragment:
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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Cc1ccncc1NC(=O)Cc1nc2ncccc2o1

GAB-REV-70cc3ca5-11
0.551

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.500

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.479

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.474

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.474

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Cc1ccncc1NC(=O)CC1CC2(CC2)C1

MAT-POS-590ac91e-24
0.473

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.461

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.461

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

GAB-REV-70cc3ca5-20
0.461

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.461

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.461

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

ANN-UNI-98d2bf15-2
0.456

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Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.451

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Cc1ccncc1NC(=O)CCl

MAK-UNK-6ca90168-26
0.448

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Cc1ccncc1NC(=O)Cc1ccccc1N

ANN-UNI-98d2bf15-1
0.447

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

EDJ-MED-e58735b6-3
0.444

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

DAR-DIA-0cde14eb-78
0.444

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.443

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.442

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.440

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.440

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

DAR-DIA-0cde14eb-1
0.439

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

ALP-POS-95b75b4d-3
0.438

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

JAN-GHE-83b26c96-14
0.438

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

DAR-DIA-0cde14eb-76
0.438

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

EDJ-MED-c9f55a56-1
0.434

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

DAR-DIA-0cde14eb-2
0.434

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.432

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

TRY-UNI-714a760b-20
0.432

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.431

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

DAR-DIA-0cde14eb-4
0.429

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.429

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Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.429

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.429

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

DAR-DIA-0cde14eb-3
0.429

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.429

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Cc1ccncc1NC(=O)CCc1nc2cc(Cl)ccc2o1

GAB-REV-70cc3ca5-22
0.427

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

DAR-DIA-0cde14eb-79
0.427

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Cc1ccncc1NC(=O)CNc1ccnc2ccccc12

GAB-REV-70cc3ca5-4
0.424

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COc1ccc(-c2csc(CC(=O)Nc3cnccc3C)n2)cc1

GAB-REV-70cc3ca5-15
0.424

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

ANN-UNI-98d2bf15-5
0.422

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.422

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.420

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

DAR-DIA-0cde14eb-62
0.417

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.415

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Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.414

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

DAR-DIA-0cde14eb-14
0.414

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Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.413

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.412

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

DAR-DIA-0cde14eb-77
0.412

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

RAL-THA-6b94ceba-5
0.412

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

RAL-THA-6b94ceba-15
0.412

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

MAT-POS-590ac91e-11
0.411

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

RAL-THA-6b94ceba-6
0.410

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Cc1ccncc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2

BAR-COM-0f94fc3d-28
0.409

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COC1(CC(=O)Nc2cnccc2C)CC1

MAT-POS-590ac91e-9
0.408

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.407

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.405

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

DAR-DIA-0cde14eb-61
0.405

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

DAR-DIA-0cde14eb-64
0.405

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Cc1ccncc1NC(=O)CC1CC2CC2C1

MAT-POS-590ac91e-23
0.403

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Cc1ccncc1NC(=O)CC1CCCCC1

EDG-MED-0da5ad92-4
0.403

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Cc1ccncc1NC(=O)CC1CCCCC1

TRY-UNI-714a760b-10
0.403

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Cc1ccncc1NC(=O)CC1CCCCC1

ALE-HEI-f28a35b5-6
0.403

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

TRY-UNI-2eddb1ff-1
0.402

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

EDJ-MED-e58735b6-4
0.402

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

RAL-THA-6b94ceba-8
0.402

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Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.400

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CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8
0.400

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CC(=O)Nc1cnccc1C

AAR-POS-d2a4d1df-3
0.400

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Cc1ccncc1NC(=O)CCc1ccccn1

BEN-DND-93268d01-4
0.400

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

DAR-DIA-0cde14eb-63
0.400

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.400

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Cc1ccncc1NC(=O)CN1CCOCC1

BEN-DND-93268d01-10
0.397

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.397

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Cc1ccncc1NC(=O)CCCCC(N)N

ALE-HEI-f28a35b5-10
0.397

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.395

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC23CC(C2)C3)c1

MAT-POS-e501d84c-1
0.393

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

MAT-POS-c9973a83-1
0.393

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Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.392

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

MAT-POS-590ac91e-15
0.392

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

RAL-THA-6b94ceba-12
0.391

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Cc1ccncc1NC(=O)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.391

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

RAL-THA-6b94ceba-16
0.391

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Cc1ccncc1NC(=O)CC12CCCC1C2

MAT-POS-590ac91e-25
0.390

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Cc1ccncc1NC(=O)CC(O)C1CC1

MAT-POS-590ac91e-7
0.390

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-7
0.389

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Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1

BRU-LEF-c49414a7-1
0.389

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

BEN-DND-93268d01-13
0.388

View
Cc1ccncc1NC(=O)Cc1cnn(C2(C#N)CC2)c1

DAR-DIA-0cde14eb-74
0.386

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

PET-SGC-83d43576-1
0.386

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Cc1ccncc1NC(=O)CN1CCCCC1

BEN-DND-93268d01-11
0.385

View
Cc1ccncc1NC(=O)CN1CCN(C)CC1

BEN-DND-93268d01-9
0.385

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

GAB-REV-70cc3ca5-21
0.385

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

RAL-THA-6b94ceba-7
0.384

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

RAL-THA-6b94ceba-13
0.384

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

MAK-UNK-f203cb68-4
0.383

View
Cc1ccncc1NC(=O)CCSCCS(C)(=O)=O

MAK-UNK-372b0df5-3
0.383

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ncc[nH]2)c1

RAL-THA-6b94ceba-9
0.382

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(C2COC2)c1

WIL-MOD-03b86a88-2
0.382

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.638

View
Cc1nnc(CC(=O)Nc2cnccc2C)o1

0.620

View
Cc1ccncc1NC(=O)Cc1cccc(C)c1Cl

0.608

View
Cc1ccccc1CC(=O)Nc1cnccc1C

0.592

View
Cc1ccncc1NC(=O)CCc1nc2ccccc2o1

0.582

View
Cc1ccncc1NC(=O)Cc1nc(-c2ccccc2)oc1C

0.582

View
Cc1ccncc1NC(=O)Cc1nc(-c2cccs2)oc1C

0.579

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1Cl

0.577

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COc1cccc(OC)c1CC(=O)Nc1cnccc1C

0.577

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

0.574

View
Cc1ccncc1NC(=O)Cc1cccs1

0.569

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.569

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.569

View
Cc1ccncc1NC(=O)Cc1ccco1

0.569

View
Cc1ccc(CC(=O)Nc2cnccc2C)o1

0.569

View
Cc1ccncc1NC(=O)Cc1cccc2ccccc12

0.566

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1Cl

0.566

View
Cc1ccncc1NC(=O)CCl

0.565

View
Cc1ccncc1NC(=O)Cc1cc2ccccc2o1

0.564

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.562

View
Cc1ccncc1NC(=O)Cc1nc(-c2ccco2)oc1C

0.561

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.560

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.558

View
Cc1nc(CC(=O)Nc2cnccc2C)c(C)s1

0.558

View
Cc1ccncc1NC(=O)Cc1nonc1C

0.558

View
Cc1ccncc1NC(=O)c1cc2cccc(C)c2o1

0.556

View
COc1cccc(CC(=O)Nc2cnccc2C)n1

0.556

View
Cc1cnccc1CC(=O)Nc1cnccc1C

0.551

View
Cc1ccncc1NC(=O)CNc1c(C)cccc1C

0.549

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.547

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.547

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.547

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1F

0.547

View
Cc1ccncc1NC(=O)c1oc2c(C)cccc2c1C

0.547

View
Cc1ccncc1NC(=O)Cc1noc2ccccc12

0.545

View
Cc1ccncc1NC(=O)Cc1cccc2cccnc12

0.545

View
CCc1noc(CC)c1CC(=O)Nc1cnccc1C

0.545

View
Cc1ccncc1NC(=O)Cc1cnc2ccccc2c1

0.545

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.540

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

0.540

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.540

View
Cc1ccncc1NC(=O)COc1c(C)cccc1C

0.538

View
CCc1ccccc1CC(=O)Nc1cnccc1C

0.538

View
Cc1ccncc1NC(=O)Cc1ccccc1CO

0.538

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.537

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.537

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1C

0.537

View
Cc1ccncc1NC(=O)Cc1ncccc1F

0.537

View
Cc1ccncc1NC(=O)Cc1c(C)nc2ccccc2c1C

0.536

View
Cc1ccncc1NC(=O)CSc1nc2ccccc2o1

0.536

View
Cc1ccncc1NC(=O)Cc1c[nH]c2cccc(C)c12

0.536

View
Cc1ccncc1NC(=O)Cc1coc2ccccc12

0.536

View
Cc1ccncc1NC(=O)Cc1c[nH]c2c(C)cccc12

0.536

View
Cc1ccncc1NC(=O)Cc1c(C)oc2ccccc12

0.536

View
Cc1ccncc1NC(=O)CN

0.532

View
Cc1ccncc1NC(=O)CC(C)CC(=O)Nc1cnccc1C

0.531

View
Cc1ccncc1NC(=O)CCN

0.531

View
Cc1ccncc1NC(=O)Cc1ccc(O)cc1

0.529

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

0.529

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.529

View
Cc1ccncc1NC(=O)Cc1cnccc1Cl

0.529

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

0.528

View
Cc1ccncc1NC(=O)Cc1ccccc1F

0.528

View
Cc1ccncc1NC(=O)Cc1ccccc1Cl

0.528

View
Cc1ccncc1NC(=O)Cc1ccccc1I

0.528

View
Cc1cc(CC(=O)Nc2cnccc2C)on1

0.528

View
Cc1ccncc1NC(=O)Cc1ccccc1Br

0.528

View
Cc1n[nH]c(CC(=O)Nc2cnccc2C)n1

0.528

View
Cc1ccncc1NC(=O)Cc1ccoc1

0.528

View
Cc1ccncc1NC(=O)Cc1nc[nH]c1C

0.528

View
Cc1cnc(CC(=O)Nc2cnccc2C)s1

0.528

View
Cc1ccncc1NC(=O)Cc1cccnc1C

0.528

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.527

View
Cc1ccncc1NC(=O)Cc1nn(C)c2ccccc12

0.527

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

0.526

View
Cc1ccncc1NC(=O)Cc1cccc([N+](=O)[O-])c1

0.526

View
Cc1ccncc1NC(=O)Cc1cn2cccc(C)c2n1

0.526

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

0.526

View
Cc1ccncc1NC(=O)Cc1nc(-c2ccsc2)oc1C

0.525

View
Cc1ccncc1NC(=O)Cc1coc(-c2cccs2)n1

0.525

View
Cc1ccncc1NC(=O)CCCCC(=O)Nc1cnccc1C

0.521

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Cc1ccncc1NC(=O)CO

0.521

View
Cc1ccncc1NC(=O)CCCC(=O)Nc1cnccc1C

0.521

View
COCC(=O)Nc1cnccc1C

0.521

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)cc1

0.519

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.519

View
Cc1ccncc1NC(=O)Cc1ccc(Br)cc1

0.519

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.519

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Cc1ccncc1NC(=O)Cc1ccc(I)cc1

0.519

View
Cc1ccncc1NC(=O)Cc1ccn[nH]1

0.519

View
Cc1ccncc1NC(=O)Cc1ncc[nH]1

0.519

View
Cc1ccncc1NC(=O)Cc1ccc(CN)cc1

0.519

View
COc1ccccc1CC(=O)Nc1cnccc1C

0.519

View
Cc1nc(CC(=O)Nc2cnccc2C)cs1

0.519

View
Cc1ccncc1NC(=O)Cc1c(C)noc1C

0.519

View
Cc1ccncc1NC(=O)CCOc1c(C)cccc1C

0.519

View
Cc1ccncc1NC(=O)Cc1ccc(-n2cccc2)cc1

0.519

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CC(=O)Nc1ccccc1CC(=O)Nc1cnccc1C

0.519

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Cc1cc(CC(=O)Nc2cnccc2C)no1

0.519

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Cc1nc(C)c(CC(=O)Nc2cnccc2C)s1

0.519

View

C(NC1=C(C)C=CN=C1)(=O)CC1OC2=C(C=CC=C2)N=1

0.919

View
C(NC1=CN=CC(Cl)=C1C)(=O)CC1OC2=C(C=CC=C2)N=1

0.853

View
C(NC1=CC=CN=C1)(=O)CC1OC2=C(C=CC=C2)N=1

0.844

View
C(NC1=CN=CC(C#N)=C1C)(=O)CC1OC2=C(C=CC=C2)N=1

0.826

View
C(NC1C(C)=C(C)C(C)=NC=1)(=O)CC1OC2=C(C=CC=C2)N=1

0.819

View


Discussion: