Molecule Details
| Molecular Properties | |
| SMILES: | NS(=O)(=O)c1ccncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 325.777 |
| Fraction sp3: | 0.08 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 102.15 |
| cLogP: | 1.5636 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
ALP-POS-95b75b4d-6
0.631
SAM-UNK-2684b532-13
0.615
ALP-POS-95b75b4d-8
0.615
RUB-POS-1325a9ea-19
0.609
ANN-UNI-98d2bf15-3
0.603
JOH-UNI-abfda500-5
0.603
TRY-UNI-714a760b-6
0.597
MAK-UNK-6ca90168-23
0.594
SAM-UNK-2684b532-11
0.586
MAT-POS-bb423b95-5
0.586
SAM-UNK-2684b532-12
0.586
JIN-POS-6dc588a4-4
0.586
JOH-UNI-abfda500-4
0.580
JIN-POS-6dc588a4-3
0.563
JIN-POS-6dc588a4-6
0.562
ALP-POS-95b75b4d-5
0.548
SAD-SAT-1b030f84-3
0.548
MAT-POS-bb423b95-4
0.548
ALP-POS-0c2c77e1-1
0.541
MAT-POS-bb423b95-3
0.541
MAT-POS-f7918075-5
0.533
JAN-GHE-5a013bed-10
0.529
MAT-POS-bb423b95-1
0.527
TRY-UNI-714a760b-3
0.514
MAT-POS-90fd5f68-11
0.512
MAT-POS-90fd5f68-29
0.512
PET-UNK-8df914d1-3
0.507
MAT-POS-bb423b95-9
0.507
SAD-SAT-24589cd1-3
0.506
JIN-POS-6dc588a4-22
0.500
ABI-SAT-4d06482b-2
0.500
PET-UNK-b1ef24dc-4
0.494
JIN-POS-6dc588a4-10
0.494
EDG-MED-0da5ad92-14
0.493
JAN-GHE-5a013bed-8
0.493
EDG-MED-0da5ad92-2
0.493
MIC-UNK-51049f1a-6
0.487
JIN-POS-6dc588a4-13
0.481
EDG-MED-0da5ad92-16
0.479
EDG-MED-0da5ad92-21
0.479
RUB-POS-1325a9ea-2
0.474
MIC-UNK-50cce87d-1
0.474
MAT-POS-199e2e7c-1
0.474
JIN-POS-6dc588a4-14
0.474
MAT-POS-bb423b95-2
0.474
JIN-POS-6dc588a4-12
0.474
RUB-POS-1325a9ea-5
0.474
ADA-UCB-6c2cb422-1
0.474
EDG-MED-0da5ad92-17
0.473
AGN-NEW-c7b24fe3-4
0.473
MIC-UNK-7574fcc6-1
0.468
EDJ-MED-a364e151-1
0.468
MAT-POS-f7918075-3
0.468
MIC-UNK-08cd9c58-1
0.468
RUB-POS-1325a9ea-8
0.468
EDJ-MED-6ab52e52-1
0.468
EDJ-MED-e58735b6-3
0.468
MIC-UNK-50cce87d-2
0.468
JAN-GHE-5a013bed-9
0.464
JAN-GHE-5a013bed-6
0.464
MAT-POS-8feb6e35-1
0.463
EDJ-MED-c5ca5386-2
0.463
MAT-POS-14ad9fe9-1
0.463
JIN-POS-6dc588a4-20
0.463
JIN-POS-6dc588a4-18
0.463
RUB-POS-1325a9ea-12
0.462
PET-UNK-e274cad4-6
0.462
PET-UNK-b1ef24dc-2
0.462
PET-UNK-7f7e354d-7
0.462
EDJ-MED-a364e151-3
0.462
PET-UNK-b1ef24dc-1
0.462
RUB-POS-1325a9ea-13
0.462
PET-UNK-f4e47ebd-2
0.458
PET-UNK-6314f867-3
0.457
MIC-UNK-668ac5de-1
0.457
EDJ-MED-c5ca5386-1
0.456
PET-UNK-b1ef24dc-3
0.456
RUB-POS-1325a9ea-11
0.456
MAT-POS-bb423b95-8
0.456
RUB-POS-1325a9ea-3
0.456
MIC-UNK-50cce87d-3
0.456
EDJ-MED-076d6e64-1
0.456
AGN-NEW-c7b24fe3-5
0.453
MAT-POS-8feb6e35-2
0.452
MAT-POS-90fd5f68-1
0.451
JOH-UNI-3fc3434e-3
0.451
JOH-UNI-ee5ed7c8-3
0.451
MAT-POS-90fd5f68-19
0.451
JIN-POS-6dc588a4-11
0.450
EDJ-MED-a364e151-2
0.450
MIC-UNK-8971c93c-1
0.450
MAT-POS-f7918075-4
0.450
MAT-POS-f7918075-8
0.450
RUB-POS-1325a9ea-15
0.450
EDJ-MED-c8e7a002-12
0.449
JIN-POS-6dc588a4-9
0.449
MAT-POS-90fd5f68-28
0.448
MIC-UNK-9dc9fcd1-2
0.448
AGN-NEW-c7b24fe3-1
0.447
MAT-POS-c20a539d-8
0.447