Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)NC(C)(C)CS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 473.12 |
| Fraction sp3: | 0.26 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 105.23 |
| cLogP: | 3.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-fbef42b7-1
MIC-UNK-4fbd4db9-4
0.871
MIC-UNK-4fbd4db9-6
0.795
MAT-POS-c20a539d-8
0.738
MIC-UNK-fbef42b7-1
0.705
MIC-UNK-4fbd4db9-1
0.703
MIC-UNK-fbef42b7-2
0.697
MAT-POS-90fd5f68-11
0.674
MIC-UNK-4fbd4db9-5
0.667
MIC-UNK-4fbd4db9-3
0.667
MAT-POS-90fd5f68-17
0.659
MIC-UNK-9dc9fcd1-5
0.656
MAT-POS-90fd5f68-18
0.644
MIC-UNK-9dc9fcd1-1
0.640
MIC-UNK-9dc9fcd1-2
0.637
MIC-UNK-9dc9fcd1-3
0.628
MIC-UNK-9dc9fcd1-4
0.611
MAT-POS-90fd5f68-4
0.607
MAT-POS-c20a539d-4
0.589
MAT-POS-90fd5f68-12
0.581
MAT-POS-90fd5f68-10
0.574
MAT-POS-c20a539d-6
0.573
MAT-POS-29385cc1-3
0.573
MAT-POS-90fd5f68-7
0.571
MAT-POS-90fd5f68-9
0.570
MAT-POS-bb423b95-8
0.568
MAT-POS-90fd5f68-38
0.567
MAT-POS-90fd5f68-41
0.565
JIN-POS-6dc588a4-11
0.562
MAT-POS-90fd5f68-1
0.560
MAT-POS-90fd5f68-2
0.559
PET-UNK-7fb4f80a-1
0.558
MAT-POS-c0609ef7-1
0.554
MAT-POS-c20a539d-1
0.554
MAT-POS-90fd5f68-3
0.553
MAT-POS-90fd5f68-6
0.543
PET-UNK-6314f867-2
0.538
MAT-POS-c20a539d-5
0.538
MAT-POS-90fd5f68-8
0.536
MAK-UNK-ffc90da7-5
0.520
ADA-UCB-6c2cb422-1
0.517
MAT-POS-90fd5f68-29
0.516
MAT-POS-90fd5f68-5
0.515
MAT-POS-90fd5f68-13
0.515
MAT-POS-bb423b95-1
0.511
PET-UNK-c6bcc80b-7
0.510
MAT-POS-90fd5f68-35
0.505
MAK-UNK-ffc90da7-3
0.505
MAK-UNK-ffc90da7-8
0.505
MAT-POS-c20a539d-2
0.500
PET-UNK-7fb4f80a-4
0.495
MAT-POS-90fd5f68-36
0.495
MAK-UNK-ffc90da7-9
0.491
MAT-POS-90fd5f68-15
0.490
MAT-POS-c20a539d-3
0.490
MAT-POS-90fd5f68-22
0.490
PET-UNK-7fb4f80a-3
0.485
MAT-POS-90fd5f68-30
0.485
PET-UNK-7fb4f80a-2
0.485
PET-UNK-f4e47ebd-2
0.485
PET-UNK-b38839dc-2
0.485
PET-UNK-d899bab6-2
0.480
MAT-POS-29385cc1-2
0.480
MAT-POS-90fd5f68-28
0.475
MAT-POS-c20a539d-7
0.475
MAT-POS-90fd5f68-27
0.475
PET-UNK-b38839dc-1
0.475
MAT-POS-29385cc1-1
0.475
EDJ-MED-c5ca5386-2
0.474
PET-UNK-d899bab6-1
0.474
MAT-POS-90fd5f68-25
0.474
MAT-POS-90fd5f68-40
0.474
RUB-POS-1325a9ea-4
0.474
MAT-POS-90fd5f68-14
0.472
PET-UNK-d899bab6-3
0.469
MAT-POS-90fd5f68-37
0.469
MAT-POS-f7918075-5
0.468
MAT-POS-90fd5f68-39
0.465
PET-UNK-8df914d1-1
0.464
EDJ-MED-00c1612e-1
0.464
MAT-POS-90fd5f68-19
0.464
MAT-POS-90fd5f68-16
0.464
MAT-POS-90fd5f68-24
0.455
PET-UNK-f4e47ebd-1
0.455
MAT-POS-90fd5f68-20
0.455
JIN-POS-6dc588a4-12
0.453
MAT-POS-8feb6e35-2
0.450
MIC-UNK-08cd9c58-1
0.448
MAT-POS-f7918075-3
0.448
MAT-POS-90fd5f68-21
0.446
JIN-POS-6dc588a4-18
0.443
RUB-POS-1325a9ea-13
0.442
PET-UNK-7f7e354d-7
0.442
MIC-UNK-f2576da4-1
0.439
PET-UNK-b1ef24dc-3
0.438
RUB-POS-1325a9ea-5
0.438
MAK-UNK-ffc90da7-6
0.436
TRY-UNI-714a760b-3
0.435
MAT-POS-90fd5f68-31
0.434
RUB-POS-1325a9ea-15
0.433
MAT-POS-90fd5f68-23
0.433