Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncnc1 |
| MW: | 247.05 |
| Fraction sp3: | 0.08 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.31 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | Z1699000001 |
ALE-HEI-f28a35b5-9
EDG-MED-0da5ad92-2
0.643
MIC-UNK-66895286-1
0.614
EDG-MED-0da5ad92-12
0.610
EDG-MED-0da5ad92-13
0.567
ABI-SAT-4d06482b-2
0.540
JAN-GHE-5a013bed-8
0.533
JAN-GHE-5a013bed-6
0.525
JAN-GHE-5a013bed-10
0.525
JAN-GHE-5a013bed-7
0.517
NAU-LAT-e1818702-10
0.517
PET-UNK-8df914d1-4
0.516
ALP-POS-95b75b4d-8
0.516
SAM-UNK-2684b532-13
0.516
EDG-MED-0da5ad92-21
0.516
JAN-GHE-5a013bed-11
0.508
ALP-POS-95b75b4d-6
0.508
ANN-UNI-98d2bf15-3
0.508
ALP-POS-3b848b35-3
0.507
PET-UNK-8df914d1-3
0.500
TRY-UNI-714a760b-6
0.500
EDG-MED-0da5ad92-16
0.492
EDJ-MED-c8e7a002-16
0.486
TRY-UNI-714a760b-3
0.485
EDJ-MED-49816e9b-3
0.484
MAK-UNK-6ca90168-23
0.478
EDG-MED-0da5ad92-15
0.477
MAT-POS-f7918075-7
0.472
EDJ-MED-a364e151-3
0.471
SAM-UNK-2684b532-12
0.471
PET-UNK-8df914d1-5
0.471
SAM-UNK-2684b532-11
0.471
MAT-POS-bb423b95-5
0.471
MIC-UNK-d935700b-1
0.471
EDG-MED-0da5ad92-18
0.470
EDJ-MED-49816e9b-2
0.469
JAG-UCB-a3ef7265-15
0.469
JAG-UCB-a3ef7265-17
0.469
NAU-LAT-e1818702-7
0.469
MAT-POS-199e2e7c-2
0.465
MAT-POS-199e2e7c-1
0.465
VLA-UCB-00f2c2b3-7
0.464
ADA-UCB-6c2cb422-1
0.464
ALP-POS-95b75b4d-7
0.464
NAU-LAT-a5c7d7cb-10
0.464
EDJ-MED-c8e7a002-11
0.464
EDG-MED-0da5ad92-17
0.463
EDJ-MED-49816e9b-5
0.462
EDG-MED-0da5ad92-14
0.462
MAT-POS-f7918075-4
0.458
EDJ-MED-a364e151-1
0.458
MIC-UNK-8971c93c-1
0.458
MAT-POS-f7918075-8
0.458
EDJ-MED-c8e7a002-2
0.458
MAT-POS-bb423b95-9
0.457
MAT-POS-bb423b95-4
0.457
ALP-POS-95b75b4d-5
0.457
MAT-POS-bb423b95-1
0.457
EDJ-MED-c8e7a002-12
0.457
MIC-UNK-50cce87d-2
0.457
AGN-NEW-c7b24fe3-1
0.456
MAT-POS-14ad9fe9-1
0.453
EDJ-MED-50fe53e8-1
0.451
MAT-POS-3cc264b0-1
0.451
MAT-POS-bb423b95-3
0.451
ALP-POS-0c2c77e1-1
0.451
EDJ-MED-50fe53e8-2
0.451
MAT-POS-f7918075-6
0.451
JAN-GHE-5a013bed-5
0.450
MAT-POS-bb423b95-8
0.444
EDJ-MED-c8e7a002-9
0.444
MAT-POS-bb423b95-2
0.444
MAT-POS-f7918075-5
0.444
MIC-UNK-50cce87d-1
0.444
MIC-UNK-50cce87d-3
0.444
MIC-UNK-d935700b-2
0.444
AGN-NEW-c7b24fe3-4
0.441
AGN-NEW-c7b24fe3-5
0.441
MAT-POS-f7918075-3
0.438
EDJ-MED-a364e151-2
0.438
MIC-UNK-08cd9c58-1
0.438
EDJ-MED-c8e7a002-15
0.438
EDJ-MED-50fe53e8-3
0.437
PET-UNK-8df914d1-2
0.437
NAU-LAT-e1818702-1
0.435
JAN-GHE-f4ca5a00-12
0.435
EDJ-MED-976da9a6-2
0.434
MIC-UNK-50cce87d-4
0.432
MIC-UNK-66895286-2
0.431
EDJ-MED-50fe53e8-4
0.431
EDJ-MED-c8e7a002-13
0.431
EDJ-MED-c8e7a002-14
0.431
NAU-LAT-a5c7d7cb-11
0.431
EDJ-MED-c8e7a002-6
0.427
EDJ-MED-c8e7a002-3
0.427
EDJ-MED-c8e7a002-10
0.425
JAN-GHE-5a013bed-4
0.424
MAT-POS-bb423b95-6
0.423
NAU-LAT-a5c7d7cb-12
0.423
PET-UNK-e44ffd04-1
0.423
PET-UNK-8df914d1-1
0.421