Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)(CS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1)NS(C)(=O)=O |
| MW: | 509.08 |
| Fraction sp3: | 0.27 |
| HBA: | 6 |
| HBD: | 2 |
| Rotatable Bonds: | 8 |
| TPSA: | 122.3 |
| cLogP: | 3.17 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-fbef42b7-1
MIC-UNK-4fbd4db9-2
0.795
MIC-UNK-4fbd4db9-4
0.787
MAT-POS-c20a539d-8
0.738
MIC-UNK-4fbd4db9-5
0.703
MIC-UNK-fbef42b7-2
0.697
MIC-UNK-fbef42b7-1
0.685
MIC-UNK-4fbd4db9-1
0.667
MAT-POS-90fd5f68-17
0.659
MAT-POS-90fd5f68-11
0.655
MIC-UNK-4fbd4db9-3
0.649
MAT-POS-90fd5f68-18
0.644
MIC-UNK-9dc9fcd1-1
0.640
MIC-UNK-9dc9fcd1-5
0.638
MIC-UNK-9dc9fcd1-2
0.620
MAT-POS-90fd5f68-12
0.615
MIC-UNK-9dc9fcd1-4
0.611
MIC-UNK-9dc9fcd1-3
0.611
MAT-POS-90fd5f68-9
0.604
MAT-POS-90fd5f68-10
0.591
MAT-POS-c20a539d-4
0.589
MAT-POS-90fd5f68-41
0.582
PET-UNK-7fb4f80a-1
0.574
MAT-POS-c20a539d-6
0.573
MAT-POS-29385cc1-3
0.573
MAT-POS-90fd5f68-4
0.571
MAT-POS-90fd5f68-7
0.571
MAT-POS-c0609ef7-1
0.571
MAT-POS-bb423b95-8
0.568
MAT-POS-90fd5f68-38
0.567
JIN-POS-6dc588a4-11
0.562
MAT-POS-90fd5f68-2
0.559
MAT-POS-c20a539d-1
0.554
MAT-POS-90fd5f68-3
0.553
MAT-POS-90fd5f68-1
0.543
MAT-POS-90fd5f68-6
0.543
PET-UNK-c6bcc80b-7
0.542
PET-UNK-6314f867-2
0.538
MAT-POS-c20a539d-5
0.538
MAT-POS-90fd5f68-8
0.536
MAK-UNK-ffc90da7-8
0.535
MAK-UNK-ffc90da7-5
0.520
ADA-UCB-6c2cb422-1
0.517
MAT-POS-90fd5f68-30
0.515
MAT-POS-90fd5f68-5
0.515
MAT-POS-90fd5f68-13
0.515
MAT-POS-bb423b95-1
0.511
PET-UNK-7fb4f80a-4
0.510
MAT-POS-90fd5f68-35
0.505
MAT-POS-90fd5f68-27
0.505
MAT-POS-90fd5f68-15
0.505
MAK-UNK-ffc90da7-3
0.505
PET-UNK-7fb4f80a-2
0.500
MAT-POS-90fd5f68-29
0.500
PET-UNK-7fb4f80a-3
0.500
MAT-POS-c20a539d-2
0.500
MAT-POS-90fd5f68-36
0.495
MAK-UNK-ffc90da7-9
0.491
MAT-POS-90fd5f68-28
0.490
MAT-POS-c20a539d-3
0.490
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-90fd5f68-16
0.477
MAT-POS-c20a539d-7
0.475
MAT-POS-29385cc1-1
0.475
PET-UNK-b38839dc-1
0.475
MAT-POS-8feb6e35-1
0.474
PET-UNK-d899bab6-1
0.474
EDJ-MED-c5ca5386-2
0.474
MAT-POS-90fd5f68-25
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-8feb6e35-2
0.465
MAT-POS-90fd5f68-39
0.465
EDJ-MED-00c1612e-1
0.464
PET-UNK-8df914d1-1
0.464
MAT-POS-90fd5f68-22
0.459
MAT-POS-90fd5f68-40
0.458
MAT-POS-90fd5f68-24
0.455
MAT-POS-90fd5f68-20
0.455
PET-UNK-f4e47ebd-1
0.455
JIN-POS-6dc588a4-12
0.453
MAK-UNK-ffc90da7-6
0.450
MAT-POS-90fd5f68-19
0.449
RUB-POS-1325a9ea-15
0.448
MAT-POS-90fd5f68-21
0.446
JIN-POS-6dc588a4-18
0.443
EDJ-MED-a364e151-3
0.442
PET-UNK-7f7e354d-7
0.442
RUB-POS-1325a9ea-13
0.442
MIC-UNK-f2576da4-1
0.439
PET-UNK-b1ef24dc-3
0.438
RUB-POS-1325a9ea-5
0.438
MAT-POS-90fd5f68-31
0.434
MAT-POS-f7918075-3
0.433
MIC-UNK-08cd9c58-1
0.433