Molecule Details
| Molecular Properties | |
| SMILES: | NS(=O)(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 375.04 |
| Fraction sp3: | 0.06 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 102.15 |
| cLogP: | 2.72 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-90fd5f68-35
0.760
MAT-POS-90fd5f68-36
0.740
MAT-POS-90fd5f68-11
0.688
MAT-POS-90fd5f68-19
0.662
RUB-POS-1325a9ea-4
0.658
MAT-POS-90fd5f68-40
0.658
MAT-POS-90fd5f68-25
0.654
PET-UNK-d899bab6-1
0.654
MAT-POS-90fd5f68-22
0.654
MAT-POS-90fd5f68-27
0.650
MAT-POS-90fd5f68-37
0.649
MAT-POS-90fd5f68-28
0.646
PET-UNK-7fb4f80a-2
0.642
MAT-POS-90fd5f68-30
0.642
EDJ-MED-00c1612e-1
0.641
PET-UNK-8df914d1-1
0.641
MAT-POS-90fd5f68-39
0.637
MAT-POS-c20a539d-7
0.627
MAT-POS-90fd5f68-20
0.625
MAT-POS-90fd5f68-24
0.622
ADA-UCB-6c2cb422-1
0.613
MAT-POS-f7918075-5
0.610
MAT-POS-90fd5f68-21
0.610
MAT-POS-90fd5f68-23
0.588
MIC-UNK-fbef42b7-1
0.581
MAT-POS-90fd5f68-26
0.581
PET-UNK-c6bcc80b-7
0.576
EDJ-MED-c5ca5386-2
0.573
MAT-POS-90fd5f68-17
0.571
MAT-POS-c20a539d-8
0.571
MIC-UNK-9dc9fcd1-1
0.571
MIC-UNK-9dc9fcd1-2
0.570
MAT-POS-90fd5f68-31
0.568
MAT-POS-c20a539d-2
0.568
MAT-POS-bb423b95-1
0.564
MAT-POS-90fd5f68-18
0.558
MAT-POS-90fd5f68-9
0.553
MAT-POS-bb423b95-8
0.550
MAT-POS-90fd5f68-33
0.549
MAK-UNK-ffc90da7-6
0.548
PET-UNK-f4e47ebd-1
0.548
PET-UNK-d899bab6-3
0.548
PET-UNK-b38839dc-2
0.548
MAT-POS-90fd5f68-12
0.547
PET-UNK-7fb4f80a-3
0.545
MIC-UNK-9dc9fcd1-3
0.544
JIN-POS-6dc588a4-11
0.543
MAT-POS-90fd5f68-1
0.542
PET-UNK-d899bab6-2
0.541
MAT-POS-8feb6e35-2
0.541
MAT-POS-29385cc1-2
0.541
MIC-UNK-fbef42b7-2
0.539
PET-UNK-7fb4f80a-4
0.539
MAT-POS-29385cc1-3
0.537
MAT-POS-c20a539d-6
0.537
MAT-POS-90fd5f68-4
0.536
MAT-POS-29385cc1-1
0.535
MAT-POS-c20a539d-3
0.535
PET-UNK-b38839dc-1
0.535
MIC-UNK-4fbd4db9-3
0.533
MAT-POS-90fd5f68-32
0.532
MAT-POS-90fd5f68-38
0.530
MAT-POS-90fd5f68-41
0.529
MIC-UNK-9dc9fcd1-4
0.527
MIC-UNK-4fbd4db9-4
0.526
MAT-POS-90fd5f68-6
0.523
PET-UNK-7fb4f80a-1
0.523
MAT-POS-90fd5f68-10
0.523
MIC-UNK-9dc9fcd1-5
0.522
MAT-POS-c20a539d-1
0.518
MAT-POS-c20a539d-5
0.518
MAT-POS-c20a539d-4
0.518
PET-UNK-6314f867-2
0.518
MAT-POS-90fd5f68-7
0.518
MAT-POS-c0609ef7-1
0.518
MIC-UNK-4fbd4db9-1
0.516
MIC-UNK-4fbd4db9-5
0.516
MIC-UNK-4fbd4db9-2
0.516
MAT-POS-90fd5f68-34
0.515
ALP-POS-95b75b4d-7
0.512
EDJ-MED-c5ca5386-1
0.512
PET-UNK-b1ef24dc-3
0.512
RAL-THA-1d44ff04-10
0.512
PET-UNK-f4e47ebd-2
0.512
MIC-UNK-51049f1a-6
0.506
MAT-POS-bb423b95-9
0.506
MIC-UNK-7574fcc6-1
0.506
MAT-POS-90fd5f68-2
0.506
MAT-POS-8feb6e35-1
0.500
JIN-POS-6dc588a4-13
0.500
JIN-POS-6dc588a4-22
0.500
RUB-POS-1325a9ea-13
0.500
PET-UNK-7f7e354d-7
0.500
MAT-POS-90fd5f68-3
0.500
MIC-UNK-4fbd4db9-6
0.500
MAT-POS-29385cc1-4
0.494
RUB-POS-1325a9ea-5
0.494
JIN-POS-6dc588a4-14
0.494
JIN-POS-6dc588a4-12
0.494
PET-UNK-b1ef24dc-4
0.494