Molecule Details

CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1
3-aminopyridine-like
Molecular Properties
SMILES:
CCC(F)(F)c1cccc(CC(=O)Nc2cnccc2C)c1
MW: 304.14
Fraction sp3: 0.29
HBA: 2
HBD: 1
Rotatable Bonds: 5
TPSA: 41.99
cLogP: 4.07
Covalent Warhead:
Covalent Fragment:
CC(=O)Nc1cnccc1C

MAK-UNK-6435e6c2-8

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O=C(Nc1ccccc1)Nc1cccnc1

AAR-POS-d2a4d1df-11

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

ALP-POS-95b75b4d-3
0.769

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

JAN-GHE-83b26c96-14
0.769

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

DAR-DIA-0cde14eb-76
0.769

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

DAR-DIA-0cde14eb-79
0.746

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

ANN-UNI-98d2bf15-5
0.639

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.632

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.623

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.609

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.609

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.609

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.600

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

DAR-DIA-0cde14eb-2
0.587

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.583

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

ANN-UNI-98d2bf15-2
0.575

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

TRY-UNI-714a760b-20
0.568

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

EDJ-MED-e58735b6-3
0.560

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

DAR-DIA-0cde14eb-78
0.560

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Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

ALP-POS-95b75b4d-4
0.553

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

DAR-DIA-0cde14eb-1
0.553

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Cc1ccncc1NC(=O)Cc1ccccc1

TRY-UNI-714a760b-5
0.544

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

DAR-DIA-0cde14eb-4
0.538

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

DAR-DIA-0cde14eb-3
0.538

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

EDJ-MED-e58735b6-4
0.525

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Cc1ccncc1NC(=O)Cc1ccsc1

MIH-UNI-6b9ca91a-1
0.521

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

DAR-DIA-0cde14eb-14
0.519

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Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1

SAD-SAT-7d5528d9-1
0.512

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

RAL-THA-901e9a10-7
0.506

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

BRU-LEF-c49414a7-1
0.506

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Cc1ccc(CC(=O)Nc2cnccc2C)cc1

JAN-GHE-83b26c96-11
0.500

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.486

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Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.486

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Cc1ccncc1NC(=O)CC#N

ASH-SAT-43770c7d-9
0.471

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ncc2c1

VLA-UCB-00f2c2b3-2
0.469

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Cc1ccncc1NC(=O)CCc1cccc(F)c1

BEN-DND-93268d01-6
0.468

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2C(C(F)(F)F)C2C(F)(F)F)c1

MAT-POS-044491d2-4
0.465

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Cc1ccncc1NC(=O)Cc1ccc2[nH]ccc2c1

VLA-UCB-00f2c2b3-1
0.463

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

BEN-DND-93268d01-13
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)Cc1ccc2nc[nH]c2c1

GAB-REV-70cc3ca5-18
0.458

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.456

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

TRY-UNI-2eddb1ff-1
0.456

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

EDJ-MED-c9f55a56-1
0.453

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

MAT-POS-c9973a83-1
0.444

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

RAL-THA-6b94ceba-6
0.444

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

WIL-MOD-03b86a88-5
0.440

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

RAL-THA-6b94ceba-12
0.440

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

RAL-THA-6b94ceba-16
0.440

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Cc1nnc(CC(=O)Nc2cnccc2C)s1

ALE-HEI-f28a35b5-3
0.440

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

DAR-DIA-0cde14eb-61
0.439

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(NC2CC2C(F)(F)F)c1

MAT-POS-044491d2-3
0.438

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

JAN-GHE-83b26c96-23
0.438

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

DAR-DIA-0cde14eb-63
0.434

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

RAL-THA-6b94ceba-13
0.434

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

RAL-THA-6b94ceba-7
0.434

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Cc1ccncc1NC(=O)CCCBr

ALE-HEI-f28a35b5-12
0.431

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Cc1ccncc1NC(=O)CNC(=O)Cc1cccnc1

GAB-REV-70cc3ca5-13
0.430

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

WIL-MOD-03b86a88-2
0.430

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

RAL-THA-6b94ceba-5
0.429

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

RAL-THA-6b94ceba-15
0.429

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Cc1ccncc1NC(=O)CCc1ccccc1F

BEN-DND-93268d01-7
0.425

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

WIL-MOD-03b86a88-3
0.424

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

RAL-THA-6b94ceba-14
0.424

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Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.423

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Cc1ccncc1NC(=O)CCc1ccc(F)cc1

BEN-DND-93268d01-5
0.423

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CCC(O)(C(=O)Nc1cnccc1C)c1cccc(Cl)c1

BAR-COM-0f94fc3d-38
0.422

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

DAR-DIA-0cde14eb-64
0.422

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(/C=C(/c2ccccc2)C(F)(F)F)c1

MAT-POS-f42f3716-8
0.421

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Cc1cccc(CC(=O)Nc2cnccc2C#N)c1

ALP-POS-95b75b4d-9
0.420

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C(F)(F)F

SAM-UNK-2684b532-12
0.420

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

WIL-MOD-03b86a88-6
0.419

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

RAL-THA-6b94ceba-8
0.419

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

MAK-UNK-372b0df5-3
0.418

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Cc1ccncc1NC(=O)Cc1ccc(Cl)c(OC2CC(=O)N2)c1

RAL-THA-901e9a10-8
0.418

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Cc1ccncc1NC(=O)Cc1ccccc1Cc1ccccn1

THO-SYG-cc9e9a11-1
0.417

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

DAR-DIA-0cde14eb-62
0.417

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2nnc[nH]2)c1

RAL-THA-6b94ceba-10
0.416

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Cc1ccncc1NC(=O)CCOC1CC1

MAT-POS-590ac91e-10
0.416

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Cc1ccncc1NC(=O)Cc1cccc2c1CNCC2

ADA-UCB-6c2cb422-4
0.414

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

RAL-THA-6b94ceba-9
0.414

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Cc1ccncc1NC(=O)CC1(CO)CC1

MAT-POS-590ac91e-6
0.413

View
Cc1ccncc1NC(=O)CCCCC(=N)N

PET-SGC-6e7c5dc0-1
0.413

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

EDG-MED-0da5ad92-10
0.412

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

JAN-GHE-83b26c96-22
0.412

View
Cc1ccncc1NC(=O)Cc1ccccc1-c1ccccn1

THO-SYG-cc9e9a11-2
0.412

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Cc1ccncc1NC(=O)Cc1nc2cccc(C)c2o1

GAB-REV-70cc3ca5-23
0.412

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Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-1
0.411

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

MAT-POS-044491d2-7
0.411

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

MAT-POS-590ac91e-11
0.411

View
Cc1ccncc1NC(=O)CCc1ccn[nH]1

MAT-POS-590ac91e-17
0.410

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

BAR-COM-0f94fc3d-28
0.409

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

MAT-POS-e501d84c-1
0.409

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Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2cnc[nH]2)c1

RAL-THA-6b94ceba-11
0.409

View
CCc1cc(F)ccc1-c1cc(Cl)cc(CC(=O)Nc2cnccc2C)c1

MAT-POS-f42f3716-4
0.409

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Cc1ccncc1NC(=O)Cc1cc(N2CCCCC2)cc(C2(F)CC2)c1

DAR-DIA-0cde14eb-18
0.409

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

TRY-UNI-1fd04853-1
0.407

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

PET-SGC-175e168c-1
0.407

View
CCc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1

RAL-THA-901e9a10-6
0.407

View
Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(C)c(F)c2F)c1

MAT-POS-f42f3716-6
0.407

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

0.816

View
Cc1ccncc1NC(=O)Cc1cccc(Br)c1

0.700

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.686

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

0.685

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.680

View
Cc1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.679

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.667

View
Cc1ccncc1NC(=O)Cc1cccc(I)c1

0.667

View
COCc1cccc(CC(=O)Nc2cnccc2C)c1

0.660

View
Cc1ccncc1NC(=O)Cc1cccc(OCC(F)(F)F)c1

0.649

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

0.648

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.642

View
Cc1ccncc1NC(=O)Cc1cccc(C2CC2)c1

0.636

View
Cc1ccncc1NC(=O)Cc1ccc(C(F)(F)F)cc1

0.635

View
Cc1ccncc1NC(=O)CCCc1cccc(C(F)(F)F)c1

0.632

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnccc1O

0.630

View
CCc1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.625

View
CC(=O)Nc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.625

View
CCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.625

View
CCS(=O)(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.625

View
Cc1ccncc1NC(=O)Cc1cccnc1

0.620

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

0.615

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

0.614

View
COc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.614

View
CSc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.614

View
CC(C)(C)Oc1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.614

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cnccc1-c1ccccc1

0.614

View
Cc1cnncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.611

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1C

0.608

View
Cc1cc(C(F)(F)F)ncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.607

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

0.607

View
COC(=O)c1cccc(CC(=O)Nc2cnccc2C)c1

0.607

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

0.604

View
Cc1ccncc1NC(=O)Cc1ccc(F)c(F)c1

0.604

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1Br

0.604

View
Cc1ccncc1NC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1

0.603

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1F

0.600

View
Cc1ccncc1NC(=O)Cc1ccc(O)c(F)c1

0.600

View
Cc1ccncc1NC(=O)Cc1c(C)cccc1C

0.600

View
CC(=O)c1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.596

View
Cc1ccncc1NC(=O)CNC(=O)Cc1cccc(F)c1

0.596

View
Cc1ccncc1NC(=O)Cc1cccc(NS(C)(=O)=O)c1

0.596

View
Cc1ccncc1NC(=O)Cc1cccc(OC(C)C)c1

0.596

View
Cc1ccncc1NC(=O)NCc1cccc(C(F)(F)F)c1

0.596

View
Cc1ccncc1NC(=O)NCc1cccc(C(C)(F)F)c1

0.596

View
Cc1ccncc1NC(=O)Cc1c(F)cccc1F

0.596

View
Cc1cccc(COc2cccc(CC(=O)Nc3cnccc3C)c2)c1

0.593

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

0.593

View
Cc1ccncc1NC(=O)Cc1ccc2ccccc2c1

0.593

View
Cc1ccncc1NC(=O)Cc1ccncc1

0.592

View
Cc1nccn1-c1ccncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.590

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1Br

0.589

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1I

0.589

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccncc1O

0.589

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

0.588

View
CCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.588

View
Cc1cnccc1NC(=O)Cc1cccc(OC(F)(F)F)c1

0.586

View
Cc1ccncc1NC(=O)C(=O)NCc1cccc(C(F)(F)F)c1

0.586

View
Cc1ccccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.585

View
Cc1ccncc1NC(=O)Cc1ccc(C(C)(C)C)cc1

0.585

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.583

View
Cc1ccncc1NC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1

0.583

View
Cc1ccncc1NC(=O)Cc1ccc(OC(F)(F)F)cc1

0.582

View
Cc1cnn(-c2ccncc2NC(=O)Cc2cccc(C(F)(F)F)c2)c1

0.581

View
Cc1ccncc1NC(=O)Cc1ccc(F)cc1

0.577

View
CCC(F)(F)CC(=O)Nc1cnccc1C

0.577

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

0.576

View
Cc1ccncc1NC(=O)Cc1cccc(OCc2cccnc2)c1

0.576

View
CNC(=O)COc1cccc(CC(=O)Nc2cnccc2C)c1

0.576

View
COCCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.576

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

0.576

View
Cc1ccncc1NC(=O)Cc1ccc(Cl)c(Cl)c1

0.574

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1O

0.574

View
Cc1cnccc1NC(=O)Cc1cccc(Br)c1

0.574

View
Cc1ccc(Br)cc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.571

View
Cc1ccncc1NC(=O)Cc1ccc2c(c1)OCCO2

0.571

View
Cc1ccncc1NC(=O)Cc1ccc(F)c(Br)c1

0.571

View
Cc1ccncc1NC(=O)Cc1ccc(Br)c(F)c1

0.571

View
Cc1ccncc1NC(=S)NCc1cccc(C(F)(F)F)c1

0.569

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12

0.569

View
N#Cc1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.569

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccncc12

0.569

View
Cc1ccncc1NC(=O)CNc1cccc(C(F)(F)F)c1

0.569

View
Cc1cc(Cl)ncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.569

View
Cc1ccncc1CNC(=O)Cc1cccc(C(F)(F)F)c1

0.569

View
Cc1cc(Br)ncc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.569

View
Cc1ccc(CC(=O)Nc2cnccc2C)cc1

0.569

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

0.569

View
Cc1ccncc1NC(=O)Cc1cncnc1

0.569

View
CC(C)C(=O)c1cnccc1NC(=O)Cc1cccc(C(F)(F)F)c1

0.567

View
Cc1ccncc1NC(=O)Cc1cccc(OCC#N)c1

0.567

View
CC(C)=CCOc1cccc(CC(=O)Nc2cnccc2C)c1

0.567

View
Cc1ccncc1NC(=O)Cc1cccc(OCCCOc2ccccc2)c1

0.567

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

0.567

View
Cc1ccncc1NC(=O)Cc1c(Cl)cccc1Cl

0.566

View
CCCc1ccc(CC(=O)Nc2cnccc2C)cc1

0.566

View
Cc1ccncc1NC(=O)CCc1cccc(CCC(=O)Nc2cnccc2C)c1

0.566

View
Cc1cncc(CC(=O)Nc2cnccc2C)c1

0.566

View
CN1CCN(c2ccncc2NC(=O)Cc2cccc(C(F)(F)F)c2)CC1

0.565

View
Cc1ccncc1NC(=O)N1CC(Cc2cccc(C(F)(F)F)c2)C1

0.565

View
O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccnc1

0.178

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

0.806

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

0.753

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

0.746

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

0.731

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

0.731

View


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