Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)NCCS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 446.08 |
| Fraction sp3: | 0.15 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 7 |
| TPSA: | 131.25 |
| cLogP: | 2.51 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-fbef42b7-1
MIC-UNK-4fbd4db9-1
0.831
MIC-UNK-4fbd4db9-5
0.767
MIC-UNK-fbef42b7-1
0.750
MAT-POS-c20a539d-8
0.744
MIC-UNK-fbef42b7-2
0.701
MAT-POS-90fd5f68-11
0.699
MIC-UNK-9dc9fcd1-2
0.698
MIC-UNK-4fbd4db9-4
0.696
MAT-POS-90fd5f68-17
0.682
MIC-UNK-9dc9fcd1-1
0.682
MIC-UNK-4fbd4db9-2
0.667
MIC-UNK-4fbd4db9-6
0.649
MIC-UNK-9dc9fcd1-3
0.648
MAT-POS-90fd5f68-18
0.648
MIC-UNK-9dc9fcd1-4
0.630
MIC-UNK-9dc9fcd1-5
0.606
MAT-POS-90fd5f68-1
0.598
MAT-POS-90fd5f68-10
0.593
MAT-POS-90fd5f68-7
0.591
MAT-POS-90fd5f68-3
0.589
MAT-POS-bb423b95-8
0.588
MAT-POS-90fd5f68-12
0.582
JIN-POS-6dc588a4-11
0.581
MAT-POS-c20a539d-6
0.575
MAT-POS-29385cc1-3
0.575
MAT-POS-90fd5f68-4
0.573
MAT-POS-90fd5f68-9
0.571
MAT-POS-90fd5f68-38
0.568
MAT-POS-90fd5f68-41
0.567
PET-UNK-7fb4f80a-1
0.559
PET-UNK-6314f867-2
0.556
MAT-POS-c20a539d-4
0.556
MAT-POS-c0609ef7-1
0.556
MAT-POS-c20a539d-1
0.556
MAT-POS-c20a539d-5
0.556
ADA-UCB-6c2cb422-1
0.553
MAT-POS-90fd5f68-2
0.543
MAT-POS-90fd5f68-6
0.543
MAT-POS-c20a539d-2
0.533
MAT-POS-90fd5f68-29
0.533
MAT-POS-bb423b95-1
0.529
MAT-POS-90fd5f68-35
0.521
MAT-POS-90fd5f68-8
0.521
MAT-POS-90fd5f68-5
0.515
MAT-POS-90fd5f68-13
0.515
PET-UNK-c6bcc80b-7
0.510
MAK-UNK-ffc90da7-8
0.505
PET-UNK-7fb4f80a-3
0.500
MAT-POS-90fd5f68-36
0.495
PET-UNK-d899bab6-2
0.495
MAT-POS-29385cc1-2
0.495
MAT-POS-90fd5f68-19
0.495
MAK-UNK-ffc90da7-3
0.490
MAT-POS-90fd5f68-15
0.490
MAK-UNK-ffc90da7-5
0.490
MAT-POS-90fd5f68-28
0.490
MAT-POS-c20a539d-3
0.490
PET-UNK-d899bab6-1
0.489
MAT-POS-90fd5f68-25
0.489
PET-UNK-b38839dc-2
0.484
PET-UNK-f4e47ebd-2
0.484
MAT-POS-90fd5f68-37
0.484
MAT-POS-f7918075-5
0.484
PET-UNK-7fb4f80a-4
0.480
MAK-UNK-ffc90da7-9
0.477
MAT-POS-90fd5f68-27
0.474
MAT-POS-90fd5f68-21
0.474
PET-UNK-b38839dc-1
0.474
MAT-POS-29385cc1-1
0.474
EDJ-MED-c5ca5386-2
0.474
MAT-POS-90fd5f68-40
0.473
RUB-POS-1325a9ea-4
0.473
MAT-POS-90fd5f68-14
0.472
MAT-POS-90fd5f68-30
0.469
PET-UNK-7fb4f80a-2
0.469
PET-UNK-d899bab6-3
0.469
PET-UNK-f4e47ebd-1
0.469
MAT-POS-90fd5f68-39
0.464
MAT-POS-8feb6e35-2
0.464
PET-UNK-8df914d1-1
0.463
EDJ-MED-00c1612e-1
0.463
MAT-POS-90fd5f68-16
0.463
MIC-UNK-51049f1a-6
0.462
MAT-POS-bb423b95-9
0.462
MAT-POS-c20a539d-7
0.460
MAT-POS-8feb6e35-1
0.458
MAT-POS-90fd5f68-22
0.458
RUB-POS-1325a9ea-13
0.457
PET-UNK-7f7e354d-7
0.457
MAT-POS-90fd5f68-24
0.455
MAT-POS-90fd5f68-20
0.454
PET-UNK-6314f867-3
0.453
PET-UNK-b1ef24dc-3
0.452
JIN-POS-6dc588a4-12
0.452
TRY-UNI-714a760b-3
0.449
JOH-UNI-abfda500-5
0.449
ANN-UNI-98d2bf15-3
0.449
MIC-UNK-08cd9c58-1
0.447
MAT-POS-f7918075-3
0.447
MIC-UNK-50cce87d-2
0.446