Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ncc(NC(=O)Cc2cccc(Cl)c2)n1-c1ccccc1 |
| MW: | 325.1 |
| Fraction sp3: | 0.11 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 46.92 |
| cLogP: | 4.02 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
BEN-DND-1e24cf73-7
0.685
BEN-DND-1e24cf73-1
0.575
EDJ-MED-b24713dc-2
0.520
EDJ-MED-b24713dc-1
0.513
PET-UNK-8df914d1-4
0.507
EDJ-MED-b24713dc-4
0.506
EDJ-MED-6e43a462-6
0.500
EDJ-MED-b24713dc-3
0.494
PET-UNK-8df914d1-2
0.494
EDJ-MED-6e43a462-12
0.487
EDG-MED-0da5ad92-13
0.486
EDJ-MED-6e43a462-4
0.481
EDJ-MED-6e43a462-3
0.475
EDJ-MED-6e43a462-9
0.474
JAN-GHE-5a013bed-6
0.471
EDJ-MED-6e43a462-1
0.470
EDJ-MED-6e43a462-11
0.469
NAU-LAT-e1818702-8
0.468
EDJ-MED-6e43a462-7
0.468
JAG-UCB-a3ef7265-15
0.466
EDG-MED-0da5ad92-16
0.466
BEN-DND-1e24cf73-6
0.464
BEN-DND-1e24cf73-2
0.463
EDJ-MED-6e43a462-5
0.463
EDJ-MED-49816e9b-3
0.459
EDJ-MED-6e43a462-13
0.458
EDJ-MED-6e43a462-2
0.458
EDJ-MED-6e43a462-10
0.457
EDJ-MED-6e43a462-8
0.457
NAU-LAT-e1818702-9
0.450
PET-UNK-8df914d1-5
0.449
ABI-SAT-4d06482b-2
0.447
EDG-MED-0da5ad92-18
0.447
EDG-MED-0da5ad92-21
0.446
PET-UNK-158bee2a-3
0.446
EDJ-MED-49816e9b-2
0.446
JAG-UCB-a3ef7265-17
0.446
NAU-LAT-e1818702-7
0.446
BEN-DND-1e24cf73-5
0.446
EDG-MED-0da5ad92-17
0.442
EDG-MED-0da5ad92-12
0.440
EDJ-MED-49816e9b-5
0.440
EDG-MED-0da5ad92-14
0.440
MIC-UNK-66895286-1
0.438
JAN-GHE-5a013bed-8
0.438
TRY-UNI-714a760b-6
0.434
PET-UNK-8df914d1-3
0.434
VLA-UNK-411a133b-2
0.432
ALP-POS-0c2c77e1-1
0.432
MAT-POS-bb423b95-3
0.432
JAN-GHE-5a013bed-9
0.431
MIC-UNK-f2576da4-1
0.429
VLA-UNK-411a133b-1
0.427
BEN-DND-1e24cf73-4
0.425
JOH-UNI-abfda500-4
0.423
TRY-UNI-714a760b-3
0.423
PET-UNK-158bee2a-4
0.419
JAN-GHE-5a013bed-11
0.419
EDG-MED-0da5ad92-2
0.419
RUB-POS-1325a9ea-14
0.417
PET-UNK-e274cad4-1
0.417
EDG-MED-0da5ad92-15
0.416
PET-UNK-e274cad4-6
0.415
BEN-DND-02317c5c-9
0.415
EDJ-MED-50fe53e8-4
0.415
JAN-GHE-5a013bed-1
0.413
JAN-GHE-5a013bed-10
0.413
MIC-UNK-d935700b-1
0.412
MAT-POS-bb423b95-5
0.412
PET-UNK-158bee2a-2
0.411
JOH-UNI-6fede743-1
0.410
ALP-POS-95b75b4d-8
0.408
SAM-UNK-2684b532-13
0.408
ALP-POS-3b848b35-3
0.407
NAU-LAT-e1818702-10
0.405
JAN-GHE-5a013bed-7
0.405
VLA-UNK-4cf5aa07-1
0.405
PET-UNK-158bee2a-1
0.405
MAT-POS-f7918075-8
0.405
JOH-UNI-6fede743-2
0.405
JIN-POS-6dc588a4-23
0.405
ALP-POS-95b75b4d-6
0.403
RUB-POS-1325a9ea-17
0.402
JIN-POS-6dc588a4-9
0.402
EDJ-MED-50fe53e8-3
0.402
MAT-POS-90fd5f68-22
0.402
JOH-UNI-3fc3434e-8
0.400
JOH-UNI-ee5ed7c8-8
0.400
VLA-UNK-4cf5aa07-2
0.400
RUB-POS-1325a9ea-4
0.400
MAK-UNK-6ca90168-23
0.400
AGN-NEW-c7b24fe3-1
0.400
JOH-UNI-3fc3434e-11
0.398
JOH-UNI-ee5ed7c8-11
0.398
MAT-POS-f7918075-6
0.398
EDJ-MED-50fe53e8-2
0.398
JOH-UNI-6fede743-4
0.398
EDJ-MED-50fe53e8-1
0.398
MAT-POS-3cc264b0-1
0.398
NAU-LAT-a5c7d7cb-11
0.398