Molecule Details
| Molecular Properties | |
| SMILES: | Cc1cnsc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 266.03 |
| Fraction sp3: | 0.17 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 3.29 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
VLA-UNK-4cf5aa07-1
EDG-MED-0da5ad92-16
0.556
PET-UNK-158bee2a-2
0.541
JAN-GHE-5a013bed-6
0.541
EDJ-MED-49816e9b-2
0.531
PET-UNK-158bee2a-4
0.524
EDJ-MED-49816e9b-3
0.523
EDG-MED-0da5ad92-12
0.523
VLA-UNK-4cf5aa07-1
0.522
PET-UNK-158bee2a-1
0.522
TRY-UNI-714a760b-6
0.515
PET-UNK-8df914d1-3
0.515
JAN-GHE-5a013bed-7
0.508
NAU-LAT-e1818702-10
0.508
EDG-MED-0da5ad92-13
0.508
EDG-MED-0da5ad92-21
0.508
EDG-MED-0da5ad92-18
0.507
JAN-GHE-5a013bed-8
0.500
TRY-UNI-714a760b-3
0.500
EDG-MED-0da5ad92-17
0.500
EDG-MED-0da5ad92-15
0.493
JAN-GHE-5a013bed-9
0.492
PET-UNK-b1ef24dc-2
0.486
ABI-SAT-4d06482b-2
0.485
JAG-UCB-a3ef7265-15
0.485
PET-UNK-8df914d1-4
0.485
PET-UNK-b1ef24dc-4
0.479
EDJ-MED-49816e9b-5
0.478
EDG-MED-0da5ad92-14
0.478
EDG-MED-0da5ad92-2
0.477
MIC-UNK-66895286-1
0.477
VLA-UNK-411a133b-2
0.470
JAN-GHE-5a013bed-10
0.470
MIC-UNK-d935700b-1
0.465
SAM-UNK-2684b532-13
0.463
JAG-UCB-a3ef7265-17
0.463
NAU-LAT-e1818702-7
0.463
ALP-POS-95b75b4d-8
0.463
VLA-UNK-411a133b-1
0.463
MAT-POS-29385cc1-4
0.461
RUB-POS-1325a9ea-5
0.459
MIC-UNK-50cce87d-3
0.459
RUB-POS-1325a9ea-3
0.459
EDJ-MED-b24713dc-2
0.458
ALP-POS-95b75b4d-6
0.456
JAN-GHE-5a013bed-11
0.455
EDJ-MED-976da9a6-2
0.449
JAN-GHE-5a013bed-1
0.448
EDJ-MED-b24713dc-4
0.447
EDJ-MED-c8e7a002-4
0.447
BEN-DND-1e24cf73-3
0.446
JIN-POS-6dc588a4-22
0.446
MAT-POS-bb423b95-5
0.444
JIN-POS-6dc588a4-3
0.444
RUB-POS-1325a9ea-19
0.444
BEN-DND-1e24cf73-2
0.442
MAT-POS-199e2e7c-1
0.440
EDJ-MED-c8e7a002-10
0.440
MAT-POS-8feb6e35-2
0.438
JOH-UNI-abfda500-4
0.437
ANN-UNI-98d2bf15-3
0.437
JOH-UNI-abfda500-5
0.437
EDJ-MED-b24713dc-1
0.434
EDJ-MED-b24713dc-3
0.434
JOH-UNI-6fede743-2
0.434
EDJ-MED-6e43a462-9
0.432
MAK-UNK-6ca90168-23
0.431
MAT-POS-c20a539d-6
0.429
EDG-MED-0da5ad92-6
0.429
RUB-POS-1325a9ea-4
0.429
MAT-POS-29385cc1-3
0.429
EDJ-MED-6e43a462-7
0.427
MAT-POS-f7918075-6
0.427
EDJ-MED-50fe53e8-4
0.427
BEN-DND-02317c5c-9
0.427
PET-UNK-7f7e354d-7
0.427
JIN-POS-6dc588a4-6
0.427
NAU-LAT-a5c7d7cb-11
0.427
EDJ-MED-50fe53e8-2
0.427
EDJ-MED-50fe53e8-1
0.427
MAT-POS-3cc264b0-1
0.427
PET-UNK-e274cad4-6
0.427
SAM-UNK-2684b532-11
0.425
PET-UNK-8df914d1-5
0.425
SAM-UNK-2684b532-12
0.425
JIN-POS-6dc588a4-4
0.425
JAN-GHE-5a013bed-5
0.422
RUB-POS-1325a9ea-18
0.421
EDJ-MED-6e43a462-5
0.421
MAT-POS-199e2e7c-2
0.421
MIC-UNK-50cce87d-1
0.421
RUB-POS-1325a9ea-2
0.421
ALP-POS-3b848b35-3
0.419
ALP-POS-95b75b4d-7
0.419
ADA-UCB-6c2cb422-1
0.419
VLA-UCB-00f2c2b3-7
0.419
EDG-MED-0da5ad92-1
0.417
AGN-NEW-c7b24fe3-4
0.417
JAN-GHE-83b26c96-15
0.417
AGN-NEW-c7b24fe3-5
0.417
RUB-POS-1325a9ea-22
0.417