Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)NS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 418.05 |
| Fraction sp3: | 0.06 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 131.25 |
| cLogP: | 2.43 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-6bf93aa8-1
MAT-POS-90fd5f68-17
0.803
MIC-UNK-9dc9fcd1-1
0.803
MIC-UNK-9dc9fcd1-4
0.800
MAT-POS-90fd5f68-11
0.753
MIC-UNK-fbef42b7-1
0.720
MAT-POS-c20a539d-8
0.713
MIC-UNK-4fbd4db9-3
0.698
MAT-POS-90fd5f68-18
0.695
MIC-UNK-9dc9fcd1-3
0.694
MIC-UNK-fbef42b7-2
0.671
MIC-UNK-4fbd4db9-4
0.667
MIC-UNK-4fbd4db9-5
0.659
MIC-UNK-9dc9fcd1-5
0.648
MAT-POS-90fd5f68-1
0.642
MIC-UNK-4fbd4db9-1
0.640
MIC-UNK-4fbd4db9-2
0.637
MAT-POS-bb423b95-8
0.633
JIN-POS-6dc588a4-11
0.625
MAT-POS-90fd5f68-12
0.624
MIC-UNK-4fbd4db9-6
0.620
MAT-POS-29385cc1-3
0.617
MAT-POS-c20a539d-6
0.617
MAT-POS-90fd5f68-4
0.614
MAT-POS-90fd5f68-9
0.612
MAT-POS-90fd5f68-38
0.610
MAT-POS-90fd5f68-41
0.607
PET-UNK-7fb4f80a-1
0.598
MAT-POS-90fd5f68-10
0.598
PET-UNK-6314f867-2
0.595
MAT-POS-c20a539d-4
0.595
MAT-POS-c20a539d-1
0.595
MAT-POS-90fd5f68-7
0.595
MAT-POS-c0609ef7-1
0.595
MAT-POS-c20a539d-5
0.595
MAT-POS-90fd5f68-6
0.581
MAT-POS-90fd5f68-2
0.581
ADA-UCB-6c2cb422-1
0.575
MAT-POS-90fd5f68-3
0.575
MAT-POS-90fd5f68-35
0.575
MAT-POS-90fd5f68-29
0.570
MAT-POS-bb423b95-1
0.568
MAT-POS-90fd5f68-8
0.556
MAT-POS-90fd5f68-5
0.549
MAT-POS-90fd5f68-13
0.548
PET-UNK-c6bcc80b-7
0.544
MAK-UNK-ffc90da7-3
0.537
MAK-UNK-ffc90da7-8
0.537
MAT-POS-c20a539d-2
0.535
MAT-POS-90fd5f68-19
0.529
MAT-POS-90fd5f68-36
0.527
PET-UNK-7fb4f80a-4
0.527
MAT-POS-90fd5f68-15
0.521
MAK-UNK-ffc90da7-5
0.521
MAT-POS-f7918075-5
0.518
PET-UNK-d899bab6-3
0.517
PET-UNK-f4e47ebd-2
0.517
PET-UNK-b38839dc-2
0.517
PET-UNK-7fb4f80a-3
0.516
PET-UNK-d899bab6-2
0.511
MAT-POS-29385cc1-2
0.511
RUB-POS-1325a9ea-4
0.506
MAT-POS-90fd5f68-40
0.506
EDJ-MED-c5ca5386-2
0.506
PET-UNK-b38839dc-1
0.505
MAT-POS-90fd5f68-27
0.505
MAT-POS-c20a539d-3
0.505
MAT-POS-29385cc1-1
0.505
MAT-POS-90fd5f68-28
0.505
PET-UNK-7fb4f80a-2
0.500
MAT-POS-90fd5f68-14
0.500
MAT-POS-90fd5f68-30
0.500
MAT-POS-90fd5f68-37
0.500
MIC-UNK-7f86385f-2
0.495
MAT-POS-90fd5f68-39
0.495
EDJ-MED-00c1612e-1
0.494
PET-UNK-8df914d1-1
0.494
MAK-UNK-ffc90da7-9
0.491
MAT-POS-90fd5f68-16
0.490
MAT-POS-c20a539d-7
0.489
PET-UNK-d899bab6-1
0.489
MAT-POS-90fd5f68-22
0.489
MAT-POS-90fd5f68-25
0.489
MAT-POS-90fd5f68-20
0.484
PET-UNK-f4e47ebd-1
0.484
RUB-POS-1325a9ea-5
0.483
JIN-POS-6dc588a4-12
0.483
TRY-UNI-714a760b-3
0.482
JOH-UNI-abfda500-5
0.482
ANN-UNI-98d2bf15-3
0.482
MAT-POS-8feb6e35-2
0.478
MIC-UNK-51049f1a-6
0.477
MAT-POS-bb423b95-9
0.477
PET-UNK-8df914d1-3
0.476
MAT-POS-90fd5f68-21
0.473
RUB-POS-1325a9ea-13
0.471
JIN-POS-6dc588a4-22
0.471
JIN-POS-6dc588a4-13
0.471
PET-UNK-7f7e354d-7
0.471
MAT-POS-90fd5f68-24
0.468
PET-UNK-b1ef24dc-3
0.466