Molecule Details
| Molecular Properties | |
| SMILES: | CS(C)(=O)=Nc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 387.08 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 71.42 |
| cLogP: | 4.43 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
MAT-POS-90fd5f68-9
0.718
MAT-POS-90fd5f68-30
0.667
EDJ-MED-00c1612e-1
0.667
PET-UNK-8df914d1-1
0.667
PET-UNK-7fb4f80a-2
0.667
RUB-POS-1325a9ea-4
0.662
MAT-POS-90fd5f68-36
0.659
MAT-POS-90fd5f68-35
0.654
MAT-POS-90fd5f68-28
0.651
MAT-POS-90fd5f68-29
0.650
MAT-POS-90fd5f68-20
0.650
MAT-POS-90fd5f68-40
0.641
MAT-POS-90fd5f68-22
0.637
MAT-POS-90fd5f68-25
0.637
PET-UNK-d899bab6-1
0.637
MAT-POS-90fd5f68-37
0.633
MAT-POS-c20a539d-7
0.631
MAT-POS-90fd5f68-19
0.625
MAT-POS-90fd5f68-39
0.622
MAT-POS-90fd5f68-21
0.614
ADA-UCB-6c2cb422-1
0.597
MAT-POS-f7918075-5
0.595
MAT-POS-90fd5f68-24
0.588
PET-UNK-c6bcc80b-7
0.581
MAT-POS-90fd5f68-23
0.575
MAT-POS-c20a539d-2
0.573
MAT-POS-90fd5f68-31
0.573
PET-UNK-d899bab6-3
0.571
PET-UNK-f4e47ebd-1
0.571
MAT-POS-90fd5f68-12
0.570
PET-UNK-7fb4f80a-3
0.568
MAT-POS-90fd5f68-26
0.568
MAT-POS-90fd5f68-10
0.563
PET-UNK-7fb4f80a-4
0.562
MAT-POS-90fd5f68-33
0.554
MAK-UNK-ffc90da7-6
0.553
PET-UNK-b38839dc-2
0.553
MAT-POS-bb423b95-1
0.550
MAT-POS-29385cc1-2
0.547
PET-UNK-d899bab6-2
0.547
MAT-POS-90fd5f68-18
0.545
PET-UNK-7fb4f80a-1
0.545
MAT-POS-29385cc1-3
0.542
MAT-POS-c20a539d-6
0.542
MAT-POS-90fd5f68-7
0.541
MAT-POS-90fd5f68-4
0.541
EDJ-MED-c5ca5386-2
0.541
MAT-POS-29385cc1-1
0.540
MAT-POS-90fd5f68-17
0.540
MAT-POS-c20a539d-3
0.540
MAT-POS-c20a539d-8
0.540
PET-UNK-b38839dc-1
0.540
MAT-POS-bb423b95-8
0.537
MAT-POS-90fd5f68-11
0.535
JIN-POS-6dc588a4-11
0.530
MAT-POS-8feb6e35-2
0.529
MAT-POS-90fd5f68-2
0.529
MIC-UNK-fbef42b7-2
0.527
MAT-POS-c0609ef7-1
0.523
MAT-POS-c20a539d-1
0.523
MAT-POS-c20a539d-4
0.523
MAT-POS-8feb6e35-1
0.523
MIC-UNK-9dc9fcd1-1
0.523
MAT-POS-90fd5f68-32
0.521
MAT-POS-90fd5f68-38
0.518
PET-UNK-f4e47ebd-2
0.517
MAT-POS-90fd5f68-41
0.517
MIC-UNK-9dc9fcd1-4
0.516
MAT-POS-90fd5f68-1
0.512
MIC-UNK-9dc9fcd1-5
0.511
MAT-POS-c20a539d-5
0.506
PET-UNK-6314f867-2
0.506
MAT-POS-90fd5f68-3
0.506
MIC-UNK-9dc9fcd1-2
0.505
MIC-UNK-4fbd4db9-5
0.505
MIC-UNK-4fbd4db9-6
0.505
MAT-POS-90fd5f68-34
0.505
RUB-POS-1325a9ea-5
0.500
JIN-POS-6dc588a4-14
0.500
PET-UNK-b1ef24dc-3
0.500
EDJ-MED-c5ca5386-1
0.500
MIC-UNK-fbef42b7-1
0.500
MAT-POS-29385cc1-4
0.500
MIC-UNK-9dc9fcd1-3
0.500
MAT-POS-90fd5f68-6
0.494
MIC-UNK-7574fcc6-1
0.494
RUB-POS-1325a9ea-15
0.494
MAT-POS-bb423b95-9
0.494
PET-UNK-8df914d1-3
0.494
JAN-GHE-5a013bed-10
0.494
MIC-UNK-4fbd4db9-1
0.490
JIN-POS-6dc588a4-18
0.488
JIN-POS-6dc588a4-13
0.488
RUB-POS-1325a9ea-13
0.488
PET-UNK-e274cad4-6
0.488
PET-UNK-7f7e354d-7
0.488
JIN-POS-6dc588a4-22
0.488
MAT-POS-bb423b95-2
0.482
MIC-UNK-50cce87d-3
0.482
JIN-POS-6dc588a4-12
0.482