Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1ncns1 |
| MW: | 253.01 |
| Fraction sp3: | 0.1 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.37 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
VLA-UNK-4cf5aa07-1
NAU-LAT-e1818702-10
0.576
JAN-GHE-5a013bed-7
0.576
PET-UNK-158bee2a-2
0.559
JAN-GHE-5a013bed-6
0.533
JAN-GHE-5a013bed-9
0.533
PET-UNK-158bee2a-3
0.524
JAN-GHE-5a013bed-8
0.492
EDG-MED-0da5ad92-2
0.492
MIC-UNK-66895286-1
0.492
PET-UNK-b1ef24dc-2
0.479
ABI-SAT-4d06482b-2
0.478
SAM-UNK-2684b532-13
0.477
ALP-POS-95b75b4d-8
0.477
PET-UNK-8df914d1-4
0.477
EDJ-MED-49816e9b-2
0.477
EDG-MED-0da5ad92-13
0.477
NAU-LAT-e1818702-7
0.477
JAG-UCB-a3ef7265-17
0.477
AGN-NEW-c7b24fe3-4
0.471
AGN-NEW-c7b24fe3-5
0.471
PET-UNK-158bee2a-1
0.471
VLA-UNK-4cf5aa07-1
0.471
EDG-MED-0da5ad92-12
0.470
EDG-MED-0da5ad92-14
0.470
JAN-GHE-5a013bed-11
0.469
EDG-MED-0da5ad92-15
0.463
JAN-GHE-5a013bed-10
0.462
VLA-UNK-411a133b-2
0.462
JAN-GHE-5a013bed-5
0.459
JIN-POS-6dc588a4-5
0.457
EDG-MED-0da5ad92-18
0.456
VLA-UNK-411a133b-1
0.455
EDG-MED-0da5ad92-16
0.455
JAG-UCB-a3ef7265-15
0.455
EDG-MED-0da5ad92-21
0.455
PET-UNK-b1ef24dc-4
0.452
ALP-POS-3b848b35-3
0.451
EDG-MED-0da5ad92-17
0.449
EDJ-MED-49816e9b-3
0.448
ALP-POS-95b75b4d-6
0.448
EDJ-MED-49816e9b-5
0.448
JIN-POS-6dc588a4-7
0.444
AGN-NEW-c7b24fe3-1
0.443
TRY-UNI-714a760b-6
0.441
PET-UNK-8df914d1-3
0.441
JIN-POS-6dc588a4-22
0.438
EDJ-MED-c8e7a002-14
0.438
JIN-POS-6dc588a4-4
0.437
SAM-UNK-2684b532-12
0.437
JIN-POS-6dc588a4-15
0.432
MAT-POS-bb423b95-2
0.432
EDJ-MED-b24713dc-2
0.431
JOH-UNI-6fede743-3
0.431
MAT-POS-bb423b95-6
0.431
JIN-POS-6dc588a4-19
0.431
TRY-UNI-714a760b-3
0.429
JOH-UNI-abfda500-5
0.429
ANN-UNI-98d2bf15-3
0.429
JOH-UNI-abfda500-4
0.429
RUB-POS-1325a9ea-22
0.429
MAT-POS-f7918075-8
0.427
MIC-UNK-08cd9c58-1
0.427
MAT-POS-f7918075-3
0.427
JIN-POS-6dc588a4-2
0.425
JIN-POS-6dc588a4-9
0.425
RUB-POS-1325a9ea-17
0.425
ALP-POS-95b75b4d-5
0.425
EDJ-MED-50fe53e8-3
0.425
MAT-POS-bb423b95-4
0.425
BEN-DND-1e24cf73-1
0.425
PET-UNK-8df914d1-2
0.425
EDJ-MED-6e43a462-9
0.425
MIC-UNK-50cce87d-2
0.425
EDJ-MED-6ab52e52-1
0.425
MAK-UNK-6ca90168-23
0.423
VLA-UNK-4cf5aa07-2
0.423
NAU-LAT-e1818702-1
0.423
JAN-GHE-f4ca5a00-12
0.423
JIN-POS-6dc588a4-17
0.419
EDJ-MED-6e43a462-7
0.419
EDJ-MED-50fe53e8-4
0.419
BEN-DND-1e24cf73-3
0.419
PET-UNK-e274cad4-6
0.419
BEN-DND-02317c5c-9
0.419
JOH-UNI-6fede743-4
0.419
JAN-GHE-5a013bed-1
0.418
SAM-UNK-2684b532-11
0.417
JIN-POS-6dc588a4-3
0.417
MAT-POS-bb423b95-5
0.417
PET-UNK-8df914d1-5
0.417
RUB-POS-1325a9ea-19
0.417
MIC-UNK-d935700b-1
0.417
JAN-GHE-f4ca5a00-16
0.417
JIN-POS-6dc588a4-21
0.413
JIN-POS-6dc588a4-24
0.413
RUB-POS-1325a9ea-11
0.413
EDJ-MED-c5ca5386-1
0.413
JIN-POS-6dc588a4-10
0.413
RUB-POS-1325a9ea-18
0.413
EDJ-MED-6e43a462-6
0.413