Molecular Properties | |
SMILES: | CC(C)(CS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1)NC(N)=O |
MW: | 474.11 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 131.25 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-fbef42b7-1
MIC-UNK-4fbd4db9-2
0.871
MIC-UNK-4fbd4db9-6
0.787
MAT-POS-c20a539d-8
0.729
MIC-UNK-fbef42b7-1
0.716
MIC-UNK-4fbd4db9-3
0.696
MIC-UNK-fbef42b7-2
0.689
MAT-POS-90fd5f68-17
0.670
MIC-UNK-9dc9fcd1-2
0.667
MAT-POS-90fd5f68-11
0.667
MIC-UNK-4fbd4db9-5
0.660
MIC-UNK-4fbd4db9-1
0.660
MIC-UNK-9dc9fcd1-1
0.652
MIC-UNK-9dc9fcd1-3
0.638
MAT-POS-90fd5f68-18
0.637
MIC-UNK-9dc9fcd1-5
0.632
MIC-UNK-9dc9fcd1-4
0.621
MAT-POS-c20a539d-4
0.582
MAT-POS-90fd5f68-12
0.574
MAT-POS-90fd5f68-1
0.571
MAT-POS-90fd5f68-10
0.568
MAT-POS-29385cc1-3
0.567
MAT-POS-c20a539d-6
0.567
MAT-POS-90fd5f68-4
0.565
MAT-POS-90fd5f68-7
0.565
MAT-POS-90fd5f68-9
0.564
MAT-POS-bb423b95-8
0.562
MAT-POS-90fd5f68-38
0.560
MAT-POS-90fd5f68-41
0.559
JIN-POS-6dc588a4-11
0.556
MAT-POS-90fd5f68-2
0.553
PET-UNK-7fb4f80a-1
0.552
MAT-POS-c0609ef7-1
0.548
MAT-POS-c20a539d-1
0.548
MAT-POS-90fd5f68-3
0.547
MAT-POS-90fd5f68-6
0.537
MAT-POS-c20a539d-5
0.532
PET-UNK-6314f867-2
0.532
MAT-POS-90fd5f68-8
0.531
MAT-POS-90fd5f68-29
0.526
MAT-POS-90fd5f68-35
0.515
MAK-UNK-ffc90da7-5
0.515
ADA-UCB-6c2cb422-1
0.511
MAT-POS-90fd5f68-5
0.510
MAT-POS-90fd5f68-13
0.510
MAT-POS-bb423b95-1
0.505
PET-UNK-c6bcc80b-7
0.505
MAK-UNK-ffc90da7-8
0.500
MAK-UNK-ffc90da7-9
0.500
MAK-UNK-ffc90da7-3
0.500
MAT-POS-c20a539d-2
0.495
PET-UNK-7fb4f80a-4
0.490
MAT-POS-90fd5f68-36
0.490
MAT-POS-90fd5f68-15
0.486
MAT-POS-c20a539d-3
0.485
PET-UNK-7fb4f80a-3
0.480
PET-UNK-7fb4f80a-2
0.480
MAT-POS-90fd5f68-30
0.480
PET-UNK-b38839dc-2
0.480
PET-UNK-f4e47ebd-2
0.480
JIN-POS-6dc588a4-12
0.479
PET-UNK-d899bab6-2
0.475
MAT-POS-29385cc1-2
0.475
MAT-POS-90fd5f68-19
0.474
MAT-POS-c20a539d-7
0.471
MAT-POS-90fd5f68-28
0.471
MAT-POS-29385cc1-1
0.470
PET-UNK-b38839dc-1
0.470
MAT-POS-90fd5f68-27
0.470
PET-UNK-d899bab6-1
0.469
MAT-POS-90fd5f68-25
0.469
RUB-POS-1325a9ea-4
0.469
MAT-POS-90fd5f68-14
0.468
PET-UNK-d899bab6-3
0.465
MAT-POS-90fd5f68-37
0.464
MAT-POS-f7918075-5
0.463
MAT-POS-90fd5f68-39
0.460
MAT-POS-90fd5f68-16
0.459
EDJ-MED-00c1612e-1
0.459
PET-UNK-8df914d1-1
0.459
MAT-POS-90fd5f68-22
0.455
EDJ-MED-c5ca5386-2
0.455
MAT-POS-90fd5f68-40
0.454
MAT-POS-90fd5f68-24
0.451
MAT-POS-90fd5f68-20
0.450
PET-UNK-f4e47ebd-1
0.450
MAT-POS-8feb6e35-2
0.446
MAK-UNK-ffc90da7-6
0.445
MAT-POS-f7918075-3
0.443
MIC-UNK-08cd9c58-1
0.443
MAT-POS-90fd5f68-21
0.441
JIN-POS-6dc588a4-18
0.439
PET-UNK-7f7e354d-7
0.438
RUB-POS-1325a9ea-13
0.438
PET-UNK-e274cad4-6
0.438
MIC-UNK-f2576da4-1
0.434
PET-UNK-b1ef24dc-3
0.433
RUB-POS-1325a9ea-5
0.433
PET-UNK-b1ef24dc-4
0.433
ANN-UNI-98d2bf15-3
0.430
TRY-UNI-714a760b-3
0.430