Molecular Properties | |
SMILES: | CNC(=O)CS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 431.07 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 105.23 |
cLogP: | 2.59 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MIC-UNK-9dc9fcd1-2
MIC-UNK-fbef42b7-1
0.810
MAT-POS-c20a539d-8
0.805
MAT-POS-90fd5f68-17
0.738
MIC-UNK-4fbd4db9-1
0.721
MIC-UNK-4fbd4db9-5
0.721
MAT-POS-90fd5f68-11
0.713
MIC-UNK-4fbd4db9-3
0.701
MAT-POS-90fd5f68-18
0.699
MIC-UNK-9dc9fcd1-4
0.698
MIC-UNK-4fbd4db9-2
0.697
MIC-UNK-4fbd4db9-6
0.697
MIC-UNK-9dc9fcd1-1
0.695
MIC-UNK-9dc9fcd1-5
0.690
MIC-UNK-4fbd4db9-4
0.689
MIC-UNK-9dc9fcd1-2
0.671
MIC-UNK-9dc9fcd1-3
0.659
MAT-POS-90fd5f68-7
0.639
MAT-POS-90fd5f68-12
0.628
MAT-POS-90fd5f68-2
0.624
MAT-POS-29385cc1-3
0.622
MAT-POS-c20a539d-6
0.622
MAT-POS-90fd5f68-10
0.621
PET-UNK-7fb4f80a-1
0.621
MAT-POS-90fd5f68-4
0.619
MAT-POS-bb423b95-8
0.617
MAT-POS-90fd5f68-9
0.616
MAT-POS-90fd5f68-41
0.612
JIN-POS-6dc588a4-11
0.610
MAT-POS-c20a539d-1
0.600
MAT-POS-c20a539d-4
0.600
MAT-POS-90fd5f68-3
0.598
MAT-POS-90fd5f68-38
0.595
MAT-POS-90fd5f68-1
0.588
MAT-POS-c0609ef7-1
0.581
PET-UNK-6314f867-2
0.581
MAT-POS-c20a539d-5
0.581
ADA-UCB-6c2cb422-1
0.580
MAT-POS-90fd5f68-6
0.568
MAT-POS-90fd5f68-35
0.562
MAT-POS-bb423b95-1
0.554
MAT-POS-90fd5f68-13
0.553
PET-UNK-c6bcc80b-7
0.549
MAT-POS-90fd5f68-8
0.543
MAK-UNK-ffc90da7-3
0.542
MAT-POS-c20a539d-2
0.540
MAT-POS-90fd5f68-29
0.539
PET-UNK-7fb4f80a-3
0.538
MAT-POS-90fd5f68-5
0.538
PET-UNK-d899bab6-2
0.533
MAT-POS-90fd5f68-36
0.533
PET-UNK-7fb4f80a-4
0.532
MAT-POS-c20a539d-3
0.527
MAT-POS-90fd5f68-27
0.527
MAT-POS-90fd5f68-15
0.526
MAK-UNK-ffc90da7-5
0.526
MAK-UNK-ffc90da7-8
0.526
MAT-POS-f7918075-5
0.523
MAT-POS-90fd5f68-20
0.522
PET-UNK-b38839dc-2
0.522
PET-UNK-f4e47ebd-2
0.522
PET-UNK-7fb4f80a-2
0.522
MAT-POS-29385cc1-2
0.516
PET-UNK-7f7e354d-7
0.512
RUB-POS-1325a9ea-4
0.511
MAT-POS-90fd5f68-25
0.511
PET-UNK-d899bab6-1
0.511
PET-UNK-b38839dc-1
0.511
MAT-POS-29385cc1-1
0.511
MAT-POS-90fd5f68-28
0.511
PET-UNK-d899bab6-3
0.505
MAT-POS-90fd5f68-30
0.505
EDJ-MED-00c1612e-1
0.500
PET-UNK-8df914d1-1
0.500
MAT-POS-90fd5f68-39
0.500
MAK-UNK-ffc90da7-9
0.495
MAT-POS-c20a539d-7
0.495
EDJ-MED-c5ca5386-2
0.495
MAT-POS-90fd5f68-22
0.495
MAT-POS-90fd5f68-40
0.494
MAT-POS-90fd5f68-14
0.490
PET-UNK-f4e47ebd-1
0.489
MAT-POS-90fd5f68-37
0.489
JIN-POS-6dc588a4-12
0.489
MAT-POS-8feb6e35-2
0.484
MAT-POS-90fd5f68-19
0.484
MAT-POS-90fd5f68-16
0.481
MAT-POS-90fd5f68-21
0.479
MAT-POS-8feb6e35-1
0.478
MAT-POS-90fd5f68-24
0.474
PET-UNK-b1ef24dc-3
0.472
RUB-POS-1325a9ea-5
0.472
RUB-POS-1325a9ea-15
0.467
MIC-UNK-51049f1a-6
0.466
MAT-POS-bb423b95-9
0.466
MAT-POS-90fd5f68-31
0.465
PET-UNK-8df914d1-3
0.464
EDJ-MED-239d8ca5-2
0.463
JIN-POS-6dc588a4-18
0.462
PET-UNK-b1ef24dc-1
0.461
PET-UNK-e274cad4-6
0.461