Molecular Properties | |
SMILES: | CNS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 389.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 88.16 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-9dc9fcd1-1
0.836
MIC-UNK-9dc9fcd1-4
0.808
MIC-UNK-9dc9fcd1-2
0.803
MAT-POS-c20a539d-8
0.763
MAT-POS-90fd5f68-11
0.760
MAT-POS-90fd5f68-18
0.744
MIC-UNK-fbef42b7-2
0.738
MIC-UNK-9dc9fcd1-5
0.711
MIC-UNK-fbef42b7-1
0.704
MIC-UNK-9dc9fcd1-3
0.699
MAT-POS-90fd5f68-35
0.696
MIC-UNK-4fbd4db9-1
0.682
MIC-UNK-4fbd4db9-5
0.682
MIC-UNK-4fbd4db9-3
0.682
MIC-UNK-4fbd4db9-4
0.670
MAT-POS-90fd5f68-12
0.667
MAT-POS-29385cc1-3
0.662
MAT-POS-c20a539d-6
0.662
MIC-UNK-4fbd4db9-2
0.659
MIC-UNK-4fbd4db9-6
0.659
MAT-POS-90fd5f68-4
0.658
MAT-POS-bb423b95-8
0.658
MAT-POS-90fd5f68-9
0.654
MAT-POS-90fd5f68-41
0.650
JIN-POS-6dc588a4-11
0.649
MAT-POS-90fd5f68-1
0.646
MAT-POS-90fd5f68-2
0.642
PET-UNK-7fb4f80a-1
0.639
MAT-POS-90fd5f68-10
0.639
MAT-POS-c20a539d-1
0.637
MAT-POS-90fd5f68-7
0.637
MAT-POS-c20a539d-4
0.637
MAT-POS-90fd5f68-38
0.633
MAT-POS-c20a539d-5
0.617
PET-UNK-6314f867-2
0.617
MAT-POS-c0609ef7-1
0.617
MAT-POS-90fd5f68-3
0.614
MAT-POS-90fd5f68-6
0.602
ADA-UCB-6c2cb422-1
0.597
MAT-POS-bb423b95-1
0.590
MAT-POS-90fd5f68-13
0.584
PET-UNK-c6bcc80b-7
0.581
MAT-POS-90fd5f68-8
0.575
MAT-POS-c20a539d-2
0.573
MAK-UNK-ffc90da7-3
0.571
MAT-POS-90fd5f68-29
0.571
PET-UNK-b38839dc-2
0.571
MAT-POS-90fd5f68-5
0.568
MAT-POS-90fd5f68-36
0.563
MAT-POS-90fd5f68-15
0.554
MAK-UNK-ffc90da7-5
0.554
MAK-UNK-ffc90da7-8
0.554
PET-UNK-f4e47ebd-2
0.553
PET-UNK-d899bab6-3
0.553
PET-UNK-7fb4f80a-3
0.551
MAT-POS-29385cc1-2
0.547
PET-UNK-d899bab6-2
0.547
PET-UNK-7fb4f80a-4
0.544
RUB-POS-1325a9ea-4
0.542
MAT-POS-90fd5f68-27
0.540
MAT-POS-29385cc1-1
0.540
PET-UNK-b38839dc-1
0.540
MAT-POS-c20a539d-3
0.540
MAT-POS-f7918075-5
0.537
MAT-POS-90fd5f68-20
0.535
MAK-UNK-ffc90da7-9
0.535
MAT-POS-90fd5f68-30
0.534
PET-UNK-7fb4f80a-2
0.534
EDJ-MED-00c1612e-1
0.529
PET-UNK-8df914d1-1
0.529
MAT-POS-90fd5f68-39
0.529
MAT-POS-90fd5f68-40
0.524
MAT-POS-90fd5f68-25
0.523
PET-UNK-d899bab6-1
0.523
EDJ-MED-c5ca5386-2
0.523
MAT-POS-90fd5f68-22
0.523
MAT-POS-c20a539d-7
0.522
MAT-POS-90fd5f68-28
0.522
MAT-POS-90fd5f68-37
0.518
PET-UNK-f4e47ebd-1
0.517
MAT-POS-90fd5f68-14
0.515
PET-UNK-8df914d1-3
0.513
MAT-POS-90fd5f68-19
0.512
MAT-POS-8feb6e35-2
0.511
PET-UNK-e274cad4-6
0.506
PET-UNK-7f7e354d-7
0.506
MAT-POS-90fd5f68-21
0.506
MAT-POS-90fd5f68-16
0.505
RUB-POS-1325a9ea-5
0.500
JIN-POS-6dc588a4-12
0.500
RAL-THA-1d44ff04-11
0.500
TRY-UNI-714a760b-3
0.500
RUB-POS-1325a9ea-15
0.494
MAT-POS-bb423b95-9
0.494
MIC-UNK-51049f1a-6
0.494
MAK-UNK-ffc90da7-6
0.490
MAT-POS-90fd5f68-31
0.489
MAT-POS-8feb6e35-1
0.489
JIN-POS-6dc588a4-18
0.488
RUB-POS-1325a9ea-13
0.488