Molecule Details
| Molecular Properties | |
| SMILES: | CN(C)S(=O)(=O)c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1 |
| MW: | 403.08 |
| Fraction sp3: | 0.16 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 79.37 |
| cLogP: | 3.32 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-90fd5f68-35
0.744
MAT-POS-90fd5f68-29
0.740
MAT-POS-90fd5f68-18
0.704
PET-UNK-d899bab6-1
0.662
MAT-POS-90fd5f68-25
0.662
MAT-POS-90fd5f68-27
0.659
MAT-POS-90fd5f68-28
0.655
PET-UNK-7fb4f80a-2
0.651
EDJ-MED-00c1612e-1
0.650
PET-UNK-8df914d1-1
0.650
RUB-POS-1325a9ea-4
0.646
MAT-POS-90fd5f68-21
0.639
MAT-POS-90fd5f68-30
0.631
MAT-POS-90fd5f68-39
0.627
MAT-POS-90fd5f68-40
0.625
MAT-POS-90fd5f68-22
0.622
MAT-POS-90fd5f68-37
0.617
MAT-POS-c20a539d-7
0.616
MAT-POS-90fd5f68-20
0.614
MAT-POS-90fd5f68-31
0.614
MAT-POS-90fd5f68-19
0.610
MAT-POS-90fd5f68-33
0.593
MAT-POS-90fd5f68-24
0.593
MIC-UNK-9dc9fcd1-3
0.589
MIC-UNK-9dc9fcd1-5
0.582
ADA-UCB-6c2cb422-1
0.582
MAT-POS-f7918075-5
0.580
MAT-POS-90fd5f68-23
0.580
PET-UNK-d899bab6-3
0.576
PET-UNK-d899bab6-2
0.570
PET-UNK-c6bcc80b-7
0.568
MAT-POS-c20a539d-8
0.563
MAT-POS-90fd5f68-17
0.563
MAT-POS-c20a539d-3
0.563
MAT-POS-c20a539d-2
0.560
PET-UNK-b38839dc-2
0.558
MAT-POS-90fd5f68-11
0.558
MAT-POS-bb423b95-1
0.556
MAT-POS-90fd5f68-26
0.556
MAT-POS-90fd5f68-10
0.551
MAT-POS-29385cc1-3
0.548
MAT-POS-c20a539d-6
0.548
MAT-POS-90fd5f68-7
0.547
MIC-UNK-9dc9fcd1-1
0.545
MAT-POS-90fd5f68-9
0.545
MAK-UNK-ffc90da7-6
0.542
PET-UNK-f4e47ebd-1
0.540
MAT-POS-90fd5f68-12
0.539
PET-UNK-7fb4f80a-3
0.538
MAT-POS-29385cc1-2
0.534
PET-UNK-7fb4f80a-4
0.533
MIC-UNK-fbef42b7-2
0.533
EDJ-MED-c5ca5386-2
0.529
MAT-POS-90fd5f68-4
0.529
MAT-POS-29385cc1-1
0.528
MAT-POS-90fd5f68-3
0.528
PET-UNK-b38839dc-1
0.528
MIC-UNK-9dc9fcd1-2
0.527
MAT-POS-90fd5f68-32
0.526
MAT-POS-bb423b95-8
0.524
MAT-POS-90fd5f68-41
0.523
MIC-UNK-fbef42b7-1
0.522
MIC-UNK-9dc9fcd1-4
0.521
JIN-POS-6dc588a4-11
0.518
MAT-POS-8feb6e35-2
0.517
PET-UNK-7fb4f80a-1
0.516
MAT-POS-c20a539d-5
0.511
PET-UNK-6314f867-2
0.511
MAT-POS-c20a539d-1
0.511
MAT-POS-c20a539d-4
0.511
MIC-UNK-4fbd4db9-1
0.510
MIC-UNK-4fbd4db9-5
0.510
MAT-POS-90fd5f68-34
0.510
MAT-POS-90fd5f68-38
0.506
PET-UNK-f4e47ebd-2
0.506
MAT-POS-90fd5f68-13
0.505
MAT-POS-90fd5f68-2
0.500
MIC-UNK-7574fcc6-1
0.500
MAT-POS-90fd5f68-1
0.500
RAL-THA-b9d6aec1-1
0.495
MIC-UNK-4fbd4db9-2
0.495
MIC-UNK-4fbd4db9-6
0.495
MIC-UNK-4fbd4db9-3
0.495
MAT-POS-c0609ef7-1
0.494
MAT-POS-8feb6e35-1
0.494
MIC-UNK-4fbd4db9-4
0.490
MAT-POS-29385cc1-4
0.489
JIN-POS-6dc588a4-14
0.488
RUB-POS-1325a9ea-5
0.488
EDJ-MED-c5ca5386-1
0.488
PET-UNK-b1ef24dc-4
0.488
PET-UNK-b1ef24dc-3
0.488
MAT-POS-90fd5f68-6
0.484
RUB-POS-1325a9ea-15
0.483
MAT-POS-bb423b95-9
0.482
PET-UNK-8df914d1-3
0.481
MAT-POS-90fd5f68-15
0.480
RUB-POS-1325a9ea-14
0.477
PET-UNK-e274cad4-1
0.477
JIN-POS-6dc588a4-18
0.477