Molecule Details
| Molecular Properties | |
| SMILES: | CC(=O)NCCS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 445.09 |
| Fraction sp3: | 0.19 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 7 |
| TPSA: | 105.23 |
| cLogP: | 2.98 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-fbef42b7-1
MIC-UNK-4fbd4db9-3
0.831
MIC-UNK-4fbd4db9-5
0.788
MAT-POS-c20a539d-8
0.765
MIC-UNK-fbef42b7-2
0.721
MIC-UNK-fbef42b7-1
0.709
MIC-UNK-4fbd4db9-2
0.703
MAT-POS-90fd5f68-17
0.682
MAT-POS-90fd5f68-11
0.679
MIC-UNK-4fbd4db9-6
0.667
MAT-POS-90fd5f68-18
0.667
MIC-UNK-9dc9fcd1-1
0.663
MIC-UNK-4fbd4db9-4
0.660
MAT-POS-90fd5f68-4
0.647
MIC-UNK-9dc9fcd1-2
0.640
MIC-UNK-9dc9fcd1-4
0.630
MIC-UNK-9dc9fcd1-3
0.630
MIC-UNK-9dc9fcd1-5
0.624
MAT-POS-90fd5f68-10
0.611
MAT-POS-90fd5f68-7
0.609
MAT-POS-90fd5f68-3
0.607
MAT-POS-90fd5f68-12
0.600
MAT-POS-29385cc1-3
0.593
MAT-POS-c20a539d-6
0.593
MAT-POS-90fd5f68-9
0.589
MAT-POS-bb423b95-8
0.588
MAT-POS-90fd5f68-41
0.584
JIN-POS-6dc588a4-11
0.581
PET-UNK-7fb4f80a-1
0.576
MAT-POS-c20a539d-1
0.573
MAT-POS-c20a539d-4
0.573
MAT-POS-90fd5f68-38
0.568
MAT-POS-90fd5f68-1
0.562
MAT-POS-90fd5f68-2
0.560
MAT-POS-c0609ef7-1
0.556
MAT-POS-c20a539d-5
0.556
PET-UNK-6314f867-2
0.556
MAT-POS-c20a539d-2
0.551
MAT-POS-90fd5f68-6
0.543
ADA-UCB-6c2cb422-1
0.535
MAT-POS-90fd5f68-13
0.531
MAT-POS-bb423b95-1
0.529
PET-UNK-c6bcc80b-7
0.526
PET-UNK-d899bab6-1
0.522
MAT-POS-90fd5f68-22
0.522
MAT-POS-90fd5f68-25
0.522
MAT-POS-c20a539d-3
0.521
MAT-POS-90fd5f68-35
0.521
MAT-POS-90fd5f68-8
0.521
MAK-UNK-ffc90da7-8
0.520
MAT-POS-90fd5f68-29
0.516
MAT-POS-90fd5f68-5
0.515
PET-UNK-7fb4f80a-3
0.515
PET-UNK-d899bab6-2
0.511
MAT-POS-29385cc1-2
0.511
MAT-POS-90fd5f68-36
0.510
EDJ-MED-c5ca5386-2
0.505
MAT-POS-90fd5f68-28
0.505
MAK-UNK-ffc90da7-3
0.505
MAK-UNK-ffc90da7-5
0.505
MAT-POS-90fd5f68-15
0.505
PET-UNK-f4e47ebd-2
0.500
PET-UNK-b38839dc-2
0.500
PET-UNK-7fb4f80a-4
0.495
PET-UNK-b38839dc-1
0.490
MAT-POS-29385cc1-1
0.490
MAT-POS-90fd5f68-21
0.490
MAT-POS-90fd5f68-27
0.490
RUB-POS-1325a9ea-4
0.489
PET-UNK-7fb4f80a-2
0.485
MAT-POS-90fd5f68-30
0.485
PET-UNK-d899bab6-3
0.484
MAT-POS-90fd5f68-37
0.484
MAT-POS-f7918075-5
0.484
MAT-POS-8feb6e35-2
0.479
MAT-POS-90fd5f68-39
0.479
EDJ-MED-00c1612e-1
0.479
PET-UNK-8df914d1-1
0.479
MAK-UNK-ffc90da7-9
0.477
MAT-POS-c20a539d-7
0.475
MAT-POS-8feb6e35-1
0.474
MAT-POS-90fd5f68-40
0.473
MAT-POS-90fd5f68-14
0.472
PET-UNK-f4e47ebd-1
0.469
MAT-POS-90fd5f68-20
0.469
MAT-POS-90fd5f68-19
0.463
MAT-POS-90fd5f68-16
0.463
MAT-POS-bb423b95-9
0.462
MIC-UNK-51049f1a-6
0.462
PET-UNK-b87f07d0-1
0.461
PET-UNK-7f7e354d-7
0.457
RUB-POS-1325a9ea-13
0.457
MAT-POS-90fd5f68-24
0.455
EDJ-MED-c5ca5386-1
0.452
MIC-UNK-50cce87d-3
0.452
RUB-POS-1325a9ea-3
0.452
JIN-POS-6dc588a4-12
0.452
RUB-POS-1325a9ea-5
0.452
PET-UNK-b1ef24dc-3
0.452
RUB-POS-1325a9ea-15
0.447
MIC-UNK-08cd9c58-1
0.447