Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2ccccc2c1 |
| MW: | 296.07 |
| Fraction sp3: | 0.06 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 4.07 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-1
EDG-MED-0da5ad92-13
0.522
MIC-UNK-66895286-1
0.515
EDG-MED-0da5ad92-12
0.514
JAN-GHE-5a013bed-9
0.507
EDG-MED-0da5ad92-2
0.493
SAM-UNK-2684b532-13
0.458
ALP-POS-95b75b4d-8
0.458
MAR-TRE-f6f5f473-67
0.458
ADA-UCB-6c2cb422-1
0.455
MAR-TRE-f6f5f473-83
0.453
JAN-GHE-5a013bed-8
0.451
JAN-GHE-5a013bed-10
0.444
EDJ-MED-50fe53e8-2
0.443
EDJ-MED-50fe53e8-1
0.443
MAT-POS-f7918075-6
0.443
MAT-POS-3cc264b0-1
0.443
JAN-GHE-5a013bed-6
0.443
ABI-SAT-4d06482b-2
0.440
PET-UNK-8df914d1-4
0.438
ANN-UNI-98d2bf15-3
0.434
EDJ-MED-49816e9b-3
0.432
ALP-POS-95b75b4d-6
0.432
MAT-POS-f7918075-8
0.432
JAN-GHE-5a013bed-11
0.431
TRY-UNI-714a760b-6
0.427
PET-UNK-8df914d1-3
0.427
SAM-UNK-2684b532-12
0.423
MAT-POS-bb423b95-5
0.423
SAM-UNK-2684b532-11
0.423
MAT-POS-bb423b95-2
0.420
MAT-POS-bb423b95-8
0.420
EDG-MED-0da5ad92-16
0.419
EDG-MED-0da5ad92-21
0.419
EDJ-MED-49816e9b-2
0.419
NAU-LAT-e1818702-10
0.417
JAN-GHE-5a013bed-7
0.417
TRY-UNI-714a760b-3
0.416
EDG-MED-0da5ad92-17
0.416
MIC-UNK-08cd9c58-1
0.415
MAT-POS-f7918075-3
0.415
EDG-MED-0da5ad92-14
0.413
PET-UNK-8df914d1-2
0.412
EDJ-MED-c8e7a002-12
0.412
MIC-UNK-50cce87d-2
0.412
MAT-POS-bb423b95-1
0.412
MAK-UNK-6ca90168-23
0.410
MIC-UNK-50cce87d-4
0.410
EDG-MED-0da5ad92-15
0.408
EDJ-MED-50fe53e8-4
0.407
ALP-POS-0c2c77e1-1
0.407
EDJ-MED-c8e7a002-14
0.407
MAT-POS-bb423b95-3
0.407
PET-UNK-8df914d1-5
0.405
JAN-GHE-5a013bed-2
0.405
EDG-MED-0da5ad92-18
0.403
MAT-POS-f7918075-5
0.402
EDJ-MED-c8e7a002-9
0.402
MIC-UNK-50cce87d-3
0.402
MIC-UNK-50cce87d-1
0.402
NAU-LAT-a5c7d7cb-12
0.400
NAU-LAT-a5c7d7cb-10
0.400
EDJ-MED-c8e7a002-11
0.400
JAG-UCB-a3ef7265-17
0.400
ALP-POS-95b75b4d-7
0.400
NAU-LAT-e1818702-7
0.400
JAG-UCB-a3ef7265-15
0.400
PET-UNK-e44ffd04-1
0.400
MIC-UNK-8971c93c-1
0.398
MAT-POS-f7918075-4
0.398
AGN-NEW-c7b24fe3-5
0.397
AGN-NEW-c7b24fe3-4
0.397
EDJ-MED-50fe53e8-3
0.395
ALP-POS-95b75b4d-5
0.395
MAT-POS-bb423b95-9
0.395
MAT-POS-bb423b95-4
0.395
EDJ-MED-49816e9b-5
0.395
MAT-POS-f7918075-7
0.393
AGN-NEW-c7b24fe3-1
0.392
EDJ-MED-c8e7a002-13
0.390
NAU-LAT-e1818702-9
0.390
EDJ-MED-a364e151-3
0.390
MIC-UNK-d935700b-1
0.388
MAT-POS-199e2e7c-2
0.386
EDJ-MED-c8e7a002-10
0.386
MAT-POS-199e2e7c-1
0.386
EDJ-MED-c8e7a002-16
0.386
JAN-GHE-5a013bed-3
0.386
PET-UNK-8df914d1-1
0.384
EDJ-MED-00c1612e-1
0.384
VLA-UCB-00f2c2b3-7
0.383
MAT-POS-bfb445d4-2
0.383
EDJ-MED-a364e151-1
0.381
EDJ-MED-a364e151-2
0.381
JAN-GHE-5a013bed-5
0.380
MAT-POS-14ad9fe9-1
0.379
NAU-LAT-e1818702-1
0.375
JAN-GHE-f4ca5a00-12
0.375
MAT-POS-e1b5ac6b-1
0.373
NAU-LAT-a5c7d7cb-11
0.373
NAU-LAT-e1818702-8
0.373