Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1ccns1 |
| MW: | 252.01 |
| Fraction sp3: | 0.09 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.99 |
| cLogP: | 2.98 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
VLA-UNK-4cf5aa07-1
JAN-GHE-5a013bed-6
0.607
PET-UNK-158bee2a-4
0.559
PET-UNK-158bee2a-3
0.541
JAN-GHE-5a013bed-7
0.517
NAU-LAT-e1818702-10
0.517
EDG-MED-0da5ad92-2
0.508
JAN-GHE-5a013bed-11
0.508
JAN-GHE-5a013bed-8
0.508
JAN-GHE-5a013bed-9
0.500
PET-UNK-b1ef24dc-2
0.493
SAM-UNK-2684b532-13
0.492
ALP-POS-95b75b4d-8
0.492
JAG-UCB-a3ef7265-15
0.492
EDJ-MED-49816e9b-2
0.492
VLA-UNK-4cf5aa07-1
0.485
JOH-UNI-abfda500-4
0.485
PET-UNK-158bee2a-1
0.485
ALP-POS-95b75b4d-6
0.484
EDG-MED-0da5ad92-14
0.484
MIC-UNK-66895286-1
0.484
TRY-UNI-714a760b-6
0.477
EDG-MED-0da5ad92-15
0.477
JAN-GHE-5a013bed-10
0.476
VLA-UNK-411a133b-2
0.476
EDG-MED-0da5ad92-18
0.470
EDG-MED-0da5ad92-13
0.469
JAG-UCB-a3ef7265-17
0.469
PET-UNK-8df914d1-4
0.469
EDG-MED-0da5ad92-21
0.469
VLA-UNK-411a133b-1
0.469
NAU-LAT-e1818702-7
0.469
EDG-MED-0da5ad92-16
0.469
PET-UNK-b1ef24dc-4
0.465
AGN-NEW-c7b24fe3-4
0.463
AGN-NEW-c7b24fe3-5
0.463
JOH-UNI-abfda500-5
0.463
ANN-UNI-98d2bf15-3
0.463
EDJ-MED-49816e9b-5
0.462
EDJ-MED-49816e9b-3
0.462
EDG-MED-0da5ad92-12
0.462
JIN-POS-6dc588a4-2
0.457
NAU-LAT-e1818702-1
0.456
AGN-NEW-c7b24fe3-1
0.456
JAN-GHE-f4ca5a00-12
0.456
MAK-UNK-6ca90168-23
0.456
PET-UNK-8df914d1-3
0.455
ALP-POS-0c2c77e1-1
0.451
MAT-POS-bb423b95-3
0.451
JIN-POS-6dc588a4-22
0.451
JAN-GHE-5a013bed-5
0.450
MAT-POS-bb423b95-5
0.449
SAM-UNK-2684b532-11
0.449
JIN-POS-6dc588a4-4
0.449
PET-UNK-8df914d1-5
0.449
JIN-POS-6dc588a4-3
0.449
RUB-POS-1325a9ea-19
0.449
SAM-UNK-2684b532-12
0.449
ABI-SAT-4d06482b-2
0.448
EDJ-MED-6e43a462-6
0.444
PET-UNK-e44ffd04-1
0.443
BEN-DND-02317c5c-8
0.443
ALP-POS-95b75b4d-7
0.443
NAU-LAT-a5c7d7cb-12
0.443
TRY-UNI-714a760b-3
0.441
EDG-MED-0da5ad92-17
0.441
RUB-POS-1325a9ea-22
0.441
BEN-DND-1e24cf73-1
0.437
JIN-POS-6dc588a4-7
0.437
MAT-POS-bb423b95-4
0.437
MAT-POS-bb423b95-1
0.437
ALP-POS-95b75b4d-5
0.437
EDJ-MED-c8e7a002-12
0.437
MAT-POS-4211dce8-1
0.437
VLA-UNK-4cf5aa07-2
0.435
EDJ-MED-6e43a462-7
0.431
EDJ-MED-c8e7a002-13
0.431
JIN-POS-6dc588a4-17
0.431
JIN-POS-6dc588a4-6
0.431
EDJ-MED-c8e7a002-14
0.431
NAU-LAT-e1818702-8
0.431
PET-UNK-e274cad4-6
0.431
MIC-UNK-d935700b-1
0.429
EDJ-MED-6e43a462-4
0.425
EDJ-MED-c8e7a002-10
0.425
MIC-UNK-50cce87d-3
0.425
MAT-POS-bb423b95-2
0.425
JIN-POS-6dc588a4-10
0.425
JIN-POS-6dc588a4-15
0.425
MAT-POS-f7918075-5
0.425
EDJ-MED-c8e7a002-16
0.425
EDJ-MED-6e43a462-5
0.425
MIC-UNK-d935700b-2
0.425
RUB-POS-1325a9ea-3
0.425
JIN-POS-6dc588a4-16
0.425
JIN-POS-6dc588a4-12
0.425
MAT-POS-199e2e7c-2
0.425
JAN-GHE-5a013bed-4
0.424
EDJ-MED-b24713dc-2
0.423
MAT-POS-bb423b95-6
0.423
ALP-POS-3b848b35-3
0.423