Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2cc(S(=O)(=O)NO)ccc12 |
| MW: | 391.04 |
| Fraction sp3: | 0.06 |
| HBA: | 5 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 108.39 |
| cLogP: | 2.74 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
acyclic NO not nitro
Hetero_hetero
EDJ-MED-6bf93aa8-1
MAT-POS-90fd5f68-17
0.836
MIC-UNK-9dc9fcd1-2
0.803
MIC-UNK-9dc9fcd1-4
0.762
MAT-POS-90fd5f68-11
0.760
MAT-POS-c20a539d-8
0.740
MAT-POS-90fd5f68-18
0.722
MIC-UNK-fbef42b7-1
0.704
MIC-UNK-fbef42b7-2
0.695
MIC-UNK-4fbd4db9-3
0.682
MIC-UNK-9dc9fcd1-3
0.679
MIC-UNK-9dc9fcd1-5
0.671
MIC-UNK-4fbd4db9-5
0.663
MIC-UNK-4fbd4db9-1
0.663
MAT-POS-bb423b95-8
0.658
MIC-UNK-4fbd4db9-4
0.652
JIN-POS-6dc588a4-11
0.649
MAT-POS-90fd5f68-12
0.646
MAT-POS-c20a539d-6
0.641
MAT-POS-29385cc1-3
0.641
MIC-UNK-4fbd4db9-2
0.640
MIC-UNK-4fbd4db9-6
0.640
MAT-POS-c20a539d-4
0.637
MAT-POS-90fd5f68-4
0.637
MAT-POS-90fd5f68-9
0.634
MAT-POS-90fd5f68-38
0.633
MAT-POS-90fd5f68-41
0.630
MAT-POS-90fd5f68-1
0.625
MAT-POS-90fd5f68-10
0.619
PET-UNK-7fb4f80a-1
0.619
PET-UNK-6314f867-2
0.617
MAT-POS-c0609ef7-1
0.617
MAT-POS-c20a539d-1
0.617
MAT-POS-90fd5f68-7
0.617
MAT-POS-c20a539d-5
0.617
MAT-POS-90fd5f68-2
0.602
MAT-POS-90fd5f68-6
0.602
ADA-UCB-6c2cb422-1
0.597
MAT-POS-90fd5f68-35
0.595
MAT-POS-90fd5f68-3
0.595
MAT-POS-bb423b95-1
0.590
MAT-POS-90fd5f68-8
0.575
MAT-POS-90fd5f68-29
0.571
MAT-POS-90fd5f68-5
0.568
MAT-POS-90fd5f68-13
0.567
PET-UNK-c6bcc80b-7
0.563
MAK-UNK-ffc90da7-5
0.554
MAT-POS-c20a539d-2
0.554
MAT-POS-90fd5f68-36
0.545
MAT-POS-90fd5f68-15
0.538
MAK-UNK-ffc90da7-8
0.538
MAK-UNK-ffc90da7-3
0.538
MAT-POS-f7918075-5
0.537
PET-UNK-b38839dc-2
0.535
PET-UNK-f4e47ebd-2
0.535
PET-UNK-d899bab6-3
0.535
MAT-POS-90fd5f68-30
0.534
PET-UNK-7fb4f80a-3
0.533
MAT-POS-29385cc1-2
0.529
PET-UNK-d899bab6-2
0.529
PET-UNK-7fb4f80a-4
0.527
MAT-POS-90fd5f68-40
0.524
RUB-POS-1325a9ea-4
0.524
MAT-POS-90fd5f68-22
0.523
MAT-POS-90fd5f68-27
0.523
PET-UNK-b38839dc-1
0.523
MAT-POS-29385cc1-1
0.523
MAT-POS-c20a539d-3
0.523
MAT-POS-c20a539d-7
0.522
MAT-POS-90fd5f68-37
0.518
PET-UNK-7fb4f80a-2
0.517
MAT-POS-90fd5f68-14
0.515
PET-UNK-8df914d1-1
0.512
EDJ-MED-00c1612e-1
0.512
MAT-POS-90fd5f68-19
0.512
MAT-POS-90fd5f68-39
0.511
MAT-POS-90fd5f68-25
0.506
EDJ-MED-c5ca5386-2
0.506
PET-UNK-d899bab6-1
0.506
MAT-POS-90fd5f68-28
0.505
MAT-POS-90fd5f68-16
0.505
MAK-UNK-ffc90da7-9
0.505
MAT-POS-90fd5f68-20
0.500
PET-UNK-f4e47ebd-1
0.500
JIN-POS-6dc588a4-12
0.500
MAT-POS-8feb6e35-2
0.494
MIC-UNK-08cd9c58-1
0.494
MAT-POS-f7918075-3
0.494
MIC-UNK-51049f1a-6
0.494
MAT-POS-bb423b95-9
0.494
PET-UNK-8df914d1-3
0.494
MAT-POS-90fd5f68-21
0.489
JIN-POS-6dc588a4-13
0.488
RUB-POS-1325a9ea-13
0.488
PET-UNK-b1ef24dc-2
0.488
PET-UNK-7f7e354d-7
0.488
JIN-POS-6dc588a4-22
0.488
MAT-POS-90fd5f68-24
0.484
RUB-POS-1325a9ea-3
0.482
PET-UNK-b1ef24dc-4
0.482
MIC-UNK-50cce87d-3
0.482