Molecule Details

ALP-POS-95b75b4d-8 View Submission
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl
3-aminopyridine-like Mcule
Molecular Properties
SMILES:
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl
MW: 281.142
Fraction sp3: 0.08
HBA: 2
HBD: 1
Rotatable Bonds: 3
TPSA: 41.99
cLogP: 3.5696
Covalent Warhead: ✗
Covalent Fragment: ✗
Source
Mcule Ultimate: YTHOQSISNCBJPD-UHFFFAOYSA-N

4-halopyridine

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1Cl

SAM-UNK-2684b532-13
1.000

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1O

ALP-POS-95b75b4d-6
0.678

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Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-6
0.667

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

SAM-UNK-2684b532-12
0.651

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NC(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ANN-UNI-98d2bf15-3
0.645

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

MAK-UNK-6ca90168-23
0.635

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

SAM-UNK-2684b532-11
0.625

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CC(C)c1ccncc1NC(=O)Cc1cccc(Cl)c1

MAT-POS-bb423b95-5
0.625

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O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Cl

JAN-GHE-5a013bed-10
0.617

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NS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1

ALP-POS-95b75b4d-7
0.615

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

ALP-POS-95b75b4d-5
0.606

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1C1CC1

MAT-POS-bb423b95-4
0.606

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

ALP-POS-0c2c77e1-1
0.597

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O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1ccccc1

MAT-POS-bb423b95-3
0.597

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cnccc12

MAT-POS-bb423b95-1
0.582

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c(Cl)cccc12

MAT-POS-bb423b95-9
0.582

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Cc1c(N)cncc1NC(=O)Cc1cccc(Cl)c1

TRY-UNI-714a760b-3
0.569

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ccncc12

MAT-POS-f7918075-5
0.565

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Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1C

PET-UNK-8df914d1-3
0.562

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Cc1[nH]ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-21
0.556

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Cc1ncncc1NC(=O)Cc1cccc(Cl)c1

ABI-SAT-4d06482b-2
0.554

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O=C(Cc1cccc(Cl)c1)Nc1cccnc1

EDG-MED-0da5ad92-2
0.548

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O=C(Cc1cccc(Cl)c1)Nc1cnccn1

JAN-GHE-5a013bed-8
0.548

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C=Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-1
0.537

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Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-16
0.531

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O=C(Nc1cnccc1Cl)c1cccc(Cl)c1

CHR-SOS-7098f804-21
0.524

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Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-14
0.523

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C#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-5
0.522

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12

ADA-UCB-6c2cb422-1
0.522

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cccnc12

MAT-POS-bb423b95-2
0.521

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O=C(Cc1cccc(Cl)c1)Nc1cncnc1

JAN-GHE-5a013bed-9
0.516

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCC2

EDJ-MED-a364e151-1
0.514

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12

MIC-UNK-08cd9c58-1
0.514

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O=C(Cc1cccc(Cl)c1)Nc1cncc2ncccc12

MAT-POS-f7918075-3
0.514

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCO2

EDJ-MED-a364e151-2
0.514

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCO2

EDJ-MED-a364e151-3
0.507

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CC(=O)N2

MAT-POS-f7918075-7
0.507

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCN2

MAT-POS-14ad9fe9-1
0.507

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CC(C(=O)Nc1cnccc1Cl)c1cccc(Cl)c1

SAM-UNK-2684b532-7
0.500

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N#Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

AGN-NEW-c7b24fe3-4
0.500

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Cc1cc(N)ncc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-17
0.500

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O=C(Cc1cccc(Cl)c1)Nc1cncc2cc(O)ccc12

MAT-POS-bb423b95-8
0.500

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

EDJ-MED-00c1612e-1
0.493

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COc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1

PET-UNK-8df914d1-1
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cncc2[nH]c(=O)[nH]c12

MIC-UNK-8971c93c-1
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cncc2nc[nH]c12

MAT-POS-f7918075-8
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cncc2[nH]c(=O)[nH]c12

MAT-POS-f7918075-4
0.493

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Cc1ccncc1NC(=N)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-6
0.493

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O=C(Cc1cccc(Cl)c1)Nc1cnns1

JAN-GHE-5a013bed-6
0.492

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCO2

EDJ-MED-976da9a6-2
0.487

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Cn1cncc1NC(=O)Cc1cccc(Cl)c1

PET-UNK-8df914d1-4
0.485

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O=C(Cc1cccc(Cl)c1)Nc1cccc2[nH]ncc12

VLA-UCB-00f2c2b3-7
0.479

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Cc1cncc(NC(=O)Cc2cccc(Cl)c2)c1

EDG-MED-0da5ad92-12
0.478

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O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1

MIC-UNK-66895286-1
0.477

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O=C(Cc1cccc(Cl)c1)Nc1nnn[nH]1

JAN-GHE-5a013bed-11
0.477

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Cc1ccnnc1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-15
0.471

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O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCC2

EDJ-MED-976da9a6-1
0.468

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O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12

MAT-POS-f7918075-6
0.466

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O=C(Cc1cccc(Cl)c1)Nc1cnnc2ccccc12

EDJ-MED-50fe53e8-2
0.466

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Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

ALP-POS-f13221e1-4
0.465

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Cc1ccncc1NC(=O)Cc1cccc(F)c1

ALP-POS-95b75b4d-1
0.464

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Cc1ccnc(N)c1NC(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-18
0.464

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Cc1ccnc(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-2
0.463

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Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cn1

EDG-MED-0da5ad92-13
0.463

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

NAU-LAT-e1818702-10
0.462

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O=C(Cc1cccc(Cl)c1)Nc1nncs1

JAN-GHE-5a013bed-7
0.462

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O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1

ALP-POS-3b848b35-3
0.458

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O=C(Cc1cccc(Cl)c1)Nc1c[nH]c(=O)c2ccccc12

MAT-POS-bb423b95-6
0.458

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Cc1cnn(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-3
0.456

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Cn1cc(NC(=O)Cc2cccc(Cl)c2)c2ccccc2c1=O

MAT-POS-4211dce8-1
0.452

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COc1cccc(CC(=O)Nc2cnccc2C)c1

EDJ-MED-e58735b6-1
0.451

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Cc1ccncc1NC(=O)Cc1cccc(I)c1

JAN-GHE-83b26c96-13
0.449

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Cc1ccncc1NC(=O)Cc1cccc(O)c1

ALP-POS-95b75b4d-2
0.449

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Cc1ccncc1NC(=O)Cc1cccc(CO)c1

EDJ-MED-e58735b6-2
0.449

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

DAR-DIA-0cde14eb-76
0.444

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

ALP-POS-95b75b4d-3
0.444

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O=C(Cc1cccc(Cl)c1)Nc1cncn1C1CC1

PET-UNK-8df914d1-5
0.444

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

JAN-GHE-83b26c96-14
0.444

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Cc1ccncc1NC(=O)Cc1cccc(Br)c1

JAN-GHE-83b26c96-12
0.443

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Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

JAG-UCB-a3ef7265-17
0.441

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Cc1nnc(NC(=O)Cc2cccc(Cl)c2)n1C

JAG-UCB-a3ef7265-15
0.441

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Cn1cnnc1NC(=O)Cc1cccc(Cl)c1

NAU-LAT-e1818702-7
0.441

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Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

JAN-GHE-83b26c96-15
0.437

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Cc1ccncc1N(C)C(=O)Cc1cccc(Cl)c1

EDG-MED-0da5ad92-1
0.437

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Cc1nnn(C)c1NC(=O)Cc1cccc(Cl)c1

EDJ-MED-49816e9b-5
0.435

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

DAR-DIA-0cde14eb-79
0.432

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O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-1
0.427

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O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

MAT-POS-3cc264b0-1
0.427

View
O=C(Cc1cccc(Cl)c1)Nc1nncc2ccccc12

EDJ-MED-50fe53e8-1
0.427

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

ANN-UNI-98d2bf15-2
0.425

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

ALP-POS-95b75b4d-9
0.425

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

SAD-SAT-24589cd1-5
0.425

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O=C(Cc1cccc(Cl)c1)Nn1cnnc1

JAN-GHE-5a013bed-5
0.422

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

DAR-DIA-0cde14eb-2
0.421

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O=C(Nc1cnccc1Cl)c1cc(Cl)ccc1O

CHR-SOS-7098f804-10
0.420

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

TRY-UNI-714a760b-20
0.419

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

DAR-DIA-0cde14eb-3
0.416

View
N#Cc1cccc(CC(=O)Nc2cnccc2[N+](=O)[O-])c1

SAD-SAT-24589cd1-1
0.416

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

TRY-UNI-2eddb1ff-2
0.414

View
Cc1ccncc1NC(=O)Cc1cncc(Cl)c1

EDG-MED-0da5ad92-8
0.414

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

0.767

View
Cc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.767

View
COc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.756

View
CC(=O)Nc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.733

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

0.727

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

0.727

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

0.727

View
Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.727

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

0.727

View
O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Cl

0.721

View
O=C(Cc1cccc(Cl)c1)Nc1ccnc2ccncc12

0.717

View
CSc1ccncc1NC(=O)Cc1cccc(Cl)c1

0.717

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

0.717

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

0.702

View
N#Cc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.696

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

0.696

View
CCc1cnccc1NC(=O)Cc1cccc(Cl)c1

0.696

View
CC(=O)c1cnccc1NC(=O)Cc1cccc(Cl)c1

0.696

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

0.696

View
O=C(Cc1cccc(Cl)c1)Nc1cncc(Cl)c1Br

0.689

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccc1Cl

0.683

View
O=C(Cc1cccc(Cl)c1)Nc1ccccc1Cl

0.683

View
O=C(Cc1cccc(Cl)c1)Nc1cnc(Cl)cc1Cl

0.682

View
O=C(Cc1cccc(Cl)c1)Nc1nccc2ccncc12

0.681

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1-n1cccn1

0.673

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1Oc1ccccc1

0.673

View
O=C(Cc1cccnc1)Nc1cc(Cl)ccc1Cl

0.667

View
O=C(Cc1cccc(Cl)c1)Nc1ccncc1

0.667

View
O=C(Cc1cccc(Cl)c1)Nc1cnccc1-c1cccc(F)c1

0.660

View
O=C(Cc1cccc(Cl)c1)Nc1cnccn1

0.659

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

0.659

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CC(C)C(=O)c1cnccc1NC(=O)Cc1cccc(Cl)c1

0.653

View
O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12

0.652

View
O=C(Cc1cccc(Cl)c1)NNc1ccncc1Cl

0.652

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CN1CCN(c2ccncc2NC(=O)Cc2cccc(Cl)c2)CC1

0.647

View
Cc1nccn1-c1ccncc1NC(=O)Cc1cccc(Cl)c1

0.647

View
O=C(Cc1cccc(Cl)c1)Nc1ccc(Cl)cc1Cl

0.643

View
O=C(Cc1cccc(Cl)c1)Nc1ccccc1Nc1ccncc1

0.638

View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1Cl

0.636

View
Cc1cnn(-c2ccncc2NC(=O)Cc2cccc(Cl)c2)c1

0.635

View
O=C(Cc1cccnc1)Nc1ccc(Cl)cc1Cl

0.630

View
COc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.630

View
O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1Cl

0.628

View
O=C(Cc1cccc(Cl)c1)Nc1ccncc1N1CCOCC1

0.627

View
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1cnccc1O

0.623

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

0.623

View
O=C(Cc1cccc(Cl)c1)Nc1cc(F)ccc1Cl

0.622

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Br)ccc1Cl

0.622

View
O=C(Cc1cccc(Cl)c1)Nc1ncccc1Cl

0.622

View
Cc1ccc(Cl)c(NC(=O)Cc2cccc(Cl)c2)c1

0.622

View
O=C(Cc1cccc(Cl)c1)Nc1ccnc2ccccc12

0.617

View
Cc1nccc(NC(=O)Cc2cccc(Cl)c2)c1Cl

0.617

View
O=C(Cc1cccc(Cl)c1)Nc1cncnc1

0.614

View
O=C(Cc1cccnc1)NNC(=O)Cc1cccc(Cl)c1

0.614

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)ccn1

0.614

View
O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1O

0.614

View
O=C(Cc1cccc(F)c1)Nc1cc(Cl)ccc1Cl

0.609

View
O=C(Cc1cccc(Br)c1)Nc1cc(Cl)ccc1Cl

0.609

View
COc1ccc(Cl)c(NC(=O)Cc2cccc(Cl)c2)c1

0.609

View
Cc1cnncc1NC(=O)Cc1cccc(Cl)c1

0.609

View
O=C(Cc1cccnc1)Nc1cccc(Cl)c1

0.609

View
O=C(Cc1ccncc1)NNC(=O)Cc1cccc(Cl)c1

0.605

View
O=C(Cc1cccc(Cl)c1)Nc1ccnc2cccnc12

0.604

View
O=C(Cc1cccc(F)c1)Nc1cncc(Cl)c1Cl

0.604

View
Cc1ccncc1NC(=O)Cc1cccc(F)c1

0.604

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

0.604

View
O=C(Cc1cccnc1)Nc1ccccc1Cl

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1ccc(Br)cc1Cl

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1F

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1-n1cccn1

0.600

View
Cc1ccc(-c2ccncc2)cc1NC(=O)Cc1cccc(Cl)c1

0.600

View
COC(=O)c1ncccc1NC(=O)Cc1cccc(Cl)c1

0.600

View
CN(C)c1ncncc1NC(=O)Cc1cccc(Cl)c1

0.600

View
CC(=O)Nc1ccncc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1cccc(Cl)c1Br

0.600

View
Cc1c(Cl)cccc1NC(=O)Cc1cccc(Cl)c1

0.600

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COc1ccncc1NC(=O)Cc1cccc(F)c1

0.600

View
CC(C)c1ncncc1NC(=O)Cc1cccc(Cl)c1

0.600

View
O=C(Cc1cccc(Cl)c1)Nc1ccsc1Cl

0.600

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Cc1ccc(-c2cccnc2)cc1NC(=O)Cc1cccc(Cl)c1

0.596

View
O=C(Cc1cccc(Cl)c1)Nc1ccc(Cc2ccncc2)cc1

0.596

View
NC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc(Cl)c2)c1

0.596

View
CC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc(Cl)c2)c1

0.596

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

0.596

View
O=C(Cc1cccc(Cl)c1)Nc1cc(Cl)cnc1Br

0.596

View
Cc1nnccc1NC(=O)Cc1cccc(Cl)c1

0.596

View
O=C(Cc1cnccc1Cl)NCc1cccc(Cl)c1

0.596

View
Cc1ncccc1NC(=O)Cc1cccc(Cl)c1

0.596

View
Cc1cccc(CC(=O)Nc2cnccc2C)c1

0.596

View
O=C(Cc1cccc(Cl)c1)Nc1cccnc1O

0.596

View
O=C(Cc1cccc(OCc2cccc(Cl)c2)c1)Nc1ccncc1F

0.593

View
Cc1cnccc1NC(=O)Cc1cccc(OCc2cccc(Cl)c2)c1

0.593

View
COc1ncccc1NC(=O)Cc1cccc(Cl)c1

0.592

View
COc1cc(NC(=O)Cc2cccc(Cl)c2)ccn1

0.592

View
Cc1nccc(NC(=O)Cc2cccc(Cl)c2)c1Br

0.592

View
COc1nnccc1NC(=O)Cc1cccc(Cl)c1

0.592

View
COc1cccc(CC(=O)Nc2cnccc2C)c1

0.592

View
Cc1ccncc1NC(=O)CCc1cccc(Cl)c1

0.592

View
COc1cccc(CC(=O)Nc2cnccc2OC)c1

0.592

View
CC(=O)Nc1ncccc1NC(=O)Cc1cccc(Cl)c1

0.592

View

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

1.000

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

0.949

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

0.917

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

0.916

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

0.896

View

Discussion:

Contributor: Alpha Lee, PostEra - Sun, 10 May 2020 07:06:34 +0000