Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc2cccnn12 |
| MW: | 286.06 |
| Fraction sp3: | 0.07 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 59.29 |
| cLogP: | 2.56 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
PET-UNK-8df914d1-2
0.554
EDJ-MED-b24713dc-2
0.541
EDJ-MED-6e43a462-5
0.539
EDJ-MED-6e43a462-6
0.519
EDJ-MED-6e43a462-9
0.513
EDJ-MED-6e43a462-3
0.513
EDJ-MED-b24713dc-1
0.513
EDJ-MED-6e43a462-4
0.500
EDJ-MED-6e43a462-10
0.494
EDJ-MED-b24713dc-3
0.494
EDJ-MED-6e43a462-8
0.494
EDJ-MED-6e43a462-1
0.488
EDJ-MED-6e43a462-12
0.487
PET-UNK-8df914d1-4
0.486
EDJ-MED-6e43a462-2
0.476
EDJ-MED-6e43a462-13
0.476
EDJ-MED-b24713dc-4
0.469
BEN-DND-1e24cf73-3
0.468
EDG-MED-0da5ad92-2
0.458
JAN-GHE-5a013bed-8
0.458
EDJ-MED-6e43a462-11
0.451
PET-UNK-8df914d1-5
0.449
EDG-MED-0da5ad92-13
0.446
EDG-MED-0da5ad92-14
0.440
EDJ-MED-49816e9b-3
0.440
JIN-POS-6dc588a4-9
0.438
BEN-DND-1e24cf73-1
0.438
EDJ-MED-c8e7a002-14
0.432
JIN-POS-6dc588a4-17
0.432
JAN-GHE-5a013bed-9
0.431
PET-UNK-158bee2a-2
0.431
JAN-GHE-5a013bed-6
0.431
BEN-DND-1e24cf73-7
0.430
PET-UNK-158bee2a-3
0.427
ALP-POS-95b75b4d-8
0.427
JAG-UCB-a3ef7265-17
0.427
NAU-LAT-e1818702-7
0.427
EDJ-MED-49816e9b-2
0.427
SAM-UNK-2684b532-13
0.427
BEN-DND-02317c5c-8
0.425
PET-UNK-e44ffd04-1
0.425
NAU-LAT-a5c7d7cb-12
0.425
AGN-NEW-c7b24fe3-5
0.423
AGN-NEW-c7b24fe3-4
0.423
RUB-POS-1325a9ea-8
0.422
MIC-UNK-08cd9c58-1
0.422
MAT-POS-f7918075-3
0.422
EDJ-MED-49816e9b-5
0.421
ALP-POS-95b75b4d-6
0.421
JAN-GHE-5a013bed-11
0.419
PET-UNK-158bee2a-4
0.419
MIC-UNK-66895286-1
0.419
AGN-NEW-c7b24fe3-1
0.418
TRY-UNI-714a760b-6
0.416
EDG-MED-0da5ad92-15
0.416
EDJ-MED-50fe53e8-4
0.415
BEN-DND-02317c5c-9
0.415
JAN-GHE-5a013bed-10
0.413
VLA-UNK-411a133b-2
0.413
BEN-DND-1e24cf73-2
0.412
BEN-DND-1e24cf73-5
0.412
ABI-SAT-4d06482b-2
0.410
EDG-MED-0da5ad92-18
0.410
MAT-POS-bb423b95-2
0.410
EDJ-MED-c8e7a002-16
0.410
MAT-POS-199e2e7c-2
0.410
JIN-POS-6dc588a4-10
0.410
JAG-UCB-a3ef7265-15
0.408
EDG-MED-0da5ad92-21
0.408
EDG-MED-0da5ad92-16
0.408
VLA-UNK-411a133b-1
0.408
ALP-POS-3b848b35-3
0.407
ALP-POS-95b75b4d-7
0.407
JOH-UNI-6fede743-5
0.407
NAU-LAT-e1818702-10
0.405
JAN-GHE-5a013bed-7
0.405
EDG-MED-0da5ad92-17
0.405
JOH-UNI-abfda500-4
0.405
JOH-UNI-abfda500-5
0.405
ANN-UNI-98d2bf15-3
0.405
EDG-MED-0da5ad92-12
0.403
MAT-POS-4211dce8-1
0.402
JIN-POS-6dc588a4-2
0.402
EDJ-MED-50fe53e8-3
0.402
MAT-POS-bb423b95-4
0.402
ALP-POS-95b75b4d-5
0.402
MAK-UNK-6ca90168-23
0.400
BEN-DND-1e24cf73-6
0.398
CAR-UNK-140e3209-1
0.398
PET-UNK-e274cad4-6
0.398
MAT-POS-3cc264b0-1
0.398
EDJ-MED-50fe53e8-1
0.398
PET-UNK-8df914d1-3
0.397
JIN-POS-6dc588a4-3
0.395
RUB-POS-1325a9ea-19
0.395
JIN-POS-6dc588a4-4
0.395
SAM-UNK-2684b532-12
0.395
MIC-UNK-d935700b-1
0.395
MAT-POS-bb423b95-5
0.395
SAM-UNK-2684b532-11
0.395