Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)N(C)S(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 446.08 |
| Fraction sp3: | 0.15 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 108.47 |
| cLogP: | 3.03 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-6bf93aa8-1
MIC-UNK-9dc9fcd1-3
0.817
MAT-POS-90fd5f68-18
0.800
MAT-POS-90fd5f68-17
0.711
MAT-POS-c20a539d-8
0.690
MIC-UNK-fbef42b7-2
0.690
MAT-POS-90fd5f68-11
0.687
MIC-UNK-9dc9fcd1-4
0.674
MIC-UNK-9dc9fcd1-1
0.671
MIC-UNK-4fbd4db9-2
0.656
MIC-UNK-9dc9fcd1-2
0.648
MIC-UNK-fbef42b7-1
0.640
MIC-UNK-4fbd4db9-6
0.638
MIC-UNK-4fbd4db9-4
0.632
MIC-UNK-4fbd4db9-5
0.624
MIC-UNK-4fbd4db9-1
0.624
MAT-POS-90fd5f68-2
0.621
MAT-POS-90fd5f68-10
0.618
MAT-POS-90fd5f68-7
0.616
MAT-POS-bb423b95-8
0.614
MAT-POS-90fd5f68-12
0.607
MIC-UNK-4fbd4db9-3
0.606
MAT-POS-c20a539d-6
0.600
MAT-POS-29385cc1-3
0.600
MAT-POS-90fd5f68-4
0.598
MAT-POS-90fd5f68-3
0.596
MAT-POS-90fd5f68-9
0.596
MAT-POS-90fd5f68-41
0.591
JIN-POS-6dc588a4-11
0.588
MAT-POS-90fd5f68-13
0.585
MAT-POS-90fd5f68-36
0.582
PET-UNK-7fb4f80a-1
0.582
MAT-POS-c20a539d-1
0.580
MAT-POS-c20a539d-4
0.580
MAT-POS-c0609ef7-1
0.580
MAT-POS-90fd5f68-38
0.575
MAT-POS-90fd5f68-1
0.568
MAT-POS-90fd5f68-6
0.567
MAT-POS-c20a539d-5
0.562
PET-UNK-6314f867-2
0.562
MAT-POS-90fd5f68-35
0.543
ADA-UCB-6c2cb422-1
0.541
MAT-POS-90fd5f68-15
0.541
MAT-POS-bb423b95-1
0.535
PET-UNK-d899bab6-2
0.533
PET-UNK-c6bcc80b-7
0.532
MAT-POS-90fd5f68-8
0.526
MAK-UNK-ffc90da7-3
0.525
MIC-UNK-7f86385f-5
0.523
MAT-POS-c20a539d-2
0.522
MAT-POS-90fd5f68-20
0.522
PET-UNK-b38839dc-2
0.522
MAT-POS-90fd5f68-29
0.522
PET-UNK-d899bab6-3
0.522
PET-UNK-7fb4f80a-2
0.521
MAT-POS-90fd5f68-5
0.521
MAT-POS-90fd5f68-25
0.511
PET-UNK-d899bab6-1
0.511
MAT-POS-c20a539d-3
0.511
MAT-POS-90fd5f68-27
0.511
MAT-POS-90fd5f68-28
0.510
MAK-UNK-ffc90da7-5
0.510
MAK-UNK-ffc90da7-8
0.510
PET-UNK-f4e47ebd-2
0.505
PET-UNK-7fb4f80a-3
0.505
PET-UNK-8df914d1-1
0.500
MAT-POS-29385cc1-2
0.500
EDJ-MED-00c1612e-1
0.500
PET-UNK-7fb4f80a-4
0.500
MAT-POS-90fd5f68-31
0.495
MAT-POS-29385cc1-1
0.495
MAT-POS-90fd5f68-21
0.495
PET-UNK-b38839dc-1
0.495
MAT-POS-90fd5f68-40
0.495
RUB-POS-1325a9ea-4
0.495
MAT-POS-90fd5f68-14
0.490
MAT-POS-90fd5f68-30
0.490
MAT-POS-f7918075-5
0.489
MAT-POS-90fd5f68-39
0.484
MAT-POS-90fd5f68-16
0.481
MAT-POS-c20a539d-7
0.480
EDJ-MED-c5ca5386-2
0.479
MAT-POS-90fd5f68-22
0.479
MAT-POS-90fd5f68-24
0.474
PET-UNK-f4e47ebd-1
0.474
MAT-POS-90fd5f68-37
0.473
JIN-POS-6dc588a4-12
0.473
MAT-POS-8feb6e35-2
0.469
MAK-UNK-ffc90da7-9
0.468
MAT-POS-90fd5f68-19
0.468
MAT-POS-90fd5f68-33
0.466
PET-UNK-7f7e354d-7
0.462
PET-UNK-b1ef24dc-4
0.457
RUB-POS-1325a9ea-5
0.457
RUB-POS-1325a9ea-15
0.452
MAT-POS-bb423b95-9
0.451
EDJ-MED-6ab52e52-1
0.451
MIC-UNK-50cce87d-2
0.451
MIC-UNK-51049f1a-6
0.451
MAT-POS-90fd5f68-23
0.450
PET-UNK-8df914d1-3
0.448