Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)NS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 432.07 |
| Fraction sp3: | 0.11 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 117.26 |
| cLogP: | 2.69 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-6bf93aa8-1
MAT-POS-90fd5f68-17
0.808
MIC-UNK-9dc9fcd1-2
0.800
MIC-UNK-9dc9fcd1-1
0.762
MAT-POS-c20a539d-8
0.699
MIC-UNK-fbef42b7-2
0.698
MAT-POS-90fd5f68-11
0.695
MAT-POS-90fd5f68-18
0.682
MIC-UNK-9dc9fcd1-5
0.674
MIC-UNK-4fbd4db9-5
0.648
MIC-UNK-fbef42b7-1
0.648
MIC-UNK-9dc9fcd1-3
0.644
MIC-UNK-4fbd4db9-1
0.630
MIC-UNK-4fbd4db9-3
0.630
MIC-UNK-4fbd4db9-4
0.621
JIN-POS-6dc588a4-11
0.614
MAT-POS-90fd5f68-12
0.614
MIC-UNK-4fbd4db9-2
0.611
MIC-UNK-4fbd4db9-6
0.611
MAT-POS-90fd5f68-2
0.609
MAT-POS-c20a539d-6
0.607
MAT-POS-29385cc1-3
0.607
MAT-POS-90fd5f68-4
0.605
MAT-POS-bb423b95-8
0.602
MAT-POS-90fd5f68-9
0.602
MAT-POS-90fd5f68-38
0.600
MAT-POS-90fd5f68-41
0.598
MAT-POS-90fd5f68-10
0.589
PET-UNK-7fb4f80a-1
0.589
MAT-POS-90fd5f68-7
0.586
MAT-POS-c20a539d-1
0.586
MAT-POS-c20a539d-4
0.586
MAT-POS-90fd5f68-35
0.584
MAT-POS-90fd5f68-1
0.575
PET-UNK-6314f867-2
0.568
MAT-POS-c20a539d-5
0.568
MAT-POS-c0609ef7-1
0.568
MAT-POS-90fd5f68-3
0.567
MAT-POS-90fd5f68-6
0.556
ADA-UCB-6c2cb422-1
0.548
MAK-UNK-ffc90da7-3
0.546
MAT-POS-90fd5f68-13
0.542
MAT-POS-bb423b95-1
0.541
PET-UNK-c6bcc80b-7
0.538
MAT-POS-90fd5f68-8
0.532
MAK-UNK-ffc90da7-8
0.531
MAT-POS-c20a539d-2
0.528
MAT-POS-90fd5f68-29
0.527
MAT-POS-90fd5f68-5
0.526
PET-UNK-7fb4f80a-3
0.526
MAT-POS-90fd5f68-36
0.521
MIC-UNK-7f86385f-4
0.519
MAT-POS-90fd5f68-27
0.516
MAT-POS-90fd5f68-15
0.515
MAK-UNK-ffc90da7-5
0.515
MAT-POS-90fd5f68-20
0.511
PET-UNK-f4e47ebd-2
0.511
PET-UNK-b38839dc-2
0.511
PET-UNK-d899bab6-3
0.511
PET-UNK-d899bab6-2
0.505
MAT-POS-29385cc1-2
0.505
PET-UNK-7fb4f80a-4
0.505
PET-UNK-b38839dc-1
0.500
MAT-POS-90fd5f68-28
0.500
MAT-POS-29385cc1-1
0.500
RUB-POS-1325a9ea-4
0.500
MAT-POS-c20a539d-3
0.500
MAT-POS-90fd5f68-30
0.495
PET-UNK-7fb4f80a-2
0.495
MAT-POS-f7918075-5
0.494
RUB-POS-1325a9ea-5
0.494
MAT-POS-90fd5f68-39
0.489
EDJ-MED-00c1612e-1
0.489
PET-UNK-8df914d1-1
0.489
MAK-UNK-ffc90da7-9
0.486
MAT-POS-c20a539d-7
0.485
MAT-POS-90fd5f68-22
0.484
EDJ-MED-c5ca5386-2
0.484
PET-UNK-d899bab6-1
0.484
MAT-POS-90fd5f68-25
0.484
MAT-POS-90fd5f68-40
0.484
MAT-POS-90fd5f68-14
0.481
PET-UNK-f4e47ebd-1
0.479
MAT-POS-90fd5f68-37
0.478
MAT-POS-8feb6e35-2
0.474
MAT-POS-90fd5f68-19
0.473
MAT-POS-90fd5f68-16
0.472
MAK-UNK-ffc90da7-6
0.471
PET-UNK-8df914d1-3
0.471
MAT-POS-90fd5f68-21
0.469
PET-UNK-7f7e354d-7
0.467
RUB-POS-1325a9ea-13
0.467
MIC-UNK-d935700b-1
0.466
JIN-POS-6dc588a4-12
0.462
TRY-UNI-714a760b-3
0.460
RUB-POS-1325a9ea-15
0.457
MIC-UNK-51049f1a-6
0.456
EDJ-MED-6ab52e52-1
0.456
MAT-POS-bb423b95-9
0.456
MIC-UNK-50cce87d-2
0.456
MAT-POS-90fd5f68-31
0.455