Molecule Details
| Molecular Properties | |
| SMILES: | CN(C(N)=O)S(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
| MW: | 432.07 |
| Fraction sp3: | 0.11 |
| HBA: | 5 |
| HBD: | 2 |
| Rotatable Bonds: | 5 |
| TPSA: | 122.46 |
| cLogP: | 2.77 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-6bf93aa8-1
MIC-UNK-9dc9fcd1-5
0.817
MAT-POS-90fd5f68-18
0.810
MAT-POS-90fd5f68-11
0.716
MAT-POS-c20a539d-8
0.699
MAT-POS-90fd5f68-17
0.699
MIC-UNK-9dc9fcd1-2
0.694
MIC-UNK-fbef42b7-1
0.686
MIC-UNK-9dc9fcd1-1
0.679
MIC-UNK-fbef42b7-2
0.659
MIC-UNK-4fbd4db9-3
0.648
MIC-UNK-9dc9fcd1-4
0.644
MIC-UNK-4fbd4db9-4
0.638
MAT-POS-90fd5f68-1
0.631
MIC-UNK-4fbd4db9-1
0.630
MIC-UNK-4fbd4db9-5
0.630
MIC-UNK-4fbd4db9-2
0.628
MAT-POS-29385cc1-3
0.627
MAT-POS-c20a539d-6
0.627
MAT-POS-90fd5f68-10
0.625
MAT-POS-90fd5f68-7
0.624
MAT-POS-90fd5f68-12
0.614
MIC-UNK-4fbd4db9-6
0.611
MAT-POS-90fd5f68-4
0.605
MAT-POS-bb423b95-8
0.602
MAT-POS-90fd5f68-3
0.602
MAT-POS-90fd5f68-9
0.602
MAT-POS-90fd5f68-41
0.598
JIN-POS-6dc588a4-11
0.595
MAT-POS-90fd5f68-13
0.591
MAT-POS-90fd5f68-2
0.591
PET-UNK-7fb4f80a-1
0.589
MAT-POS-90fd5f68-36
0.589
MAT-POS-c20a539d-1
0.586
MAT-POS-c20a539d-4
0.586
MAT-POS-90fd5f68-38
0.581
MAT-POS-90fd5f68-6
0.573
MAT-POS-c20a539d-5
0.568
PET-UNK-6314f867-2
0.568
MAT-POS-c0609ef7-1
0.568
ADA-UCB-6c2cb422-1
0.548
MAT-POS-90fd5f68-15
0.546
MAT-POS-90fd5f68-29
0.544
MAT-POS-bb423b95-1
0.541
PET-UNK-d899bab6-2
0.538
PET-UNK-c6bcc80b-7
0.538
MAT-POS-90fd5f68-35
0.533
MAT-POS-90fd5f68-8
0.532
MAT-POS-c20a539d-2
0.528
PET-UNK-f4e47ebd-2
0.527
PET-UNK-d899bab6-3
0.527
PET-UNK-b38839dc-2
0.527
MAT-POS-90fd5f68-5
0.526
MIC-UNK-7f86385f-3
0.519
RUB-POS-1325a9ea-4
0.517
PET-UNK-d899bab6-1
0.516
MAT-POS-90fd5f68-25
0.516
MAT-POS-c20a539d-3
0.516
MAT-POS-90fd5f68-28
0.516
MAK-UNK-ffc90da7-3
0.515
MAK-UNK-ffc90da7-5
0.515
MAK-UNK-ffc90da7-8
0.515
PET-UNK-7fb4f80a-2
0.511
PET-UNK-7fb4f80a-3
0.510
EDJ-MED-00c1612e-1
0.505
MAT-POS-90fd5f68-19
0.505
PET-UNK-8df914d1-1
0.505
MAT-POS-29385cc1-2
0.505
PET-UNK-7fb4f80a-4
0.505
MAT-POS-90fd5f68-21
0.500
EDJ-MED-c5ca5386-2
0.500
MAT-POS-90fd5f68-31
0.500
MAT-POS-90fd5f68-27
0.500
PET-UNK-b38839dc-1
0.500
MAT-POS-29385cc1-1
0.500
MAT-POS-90fd5f68-30
0.495
PET-UNK-f4e47ebd-1
0.495
MAT-POS-90fd5f68-20
0.495
MAT-POS-f7918075-5
0.494
MAT-POS-90fd5f68-39
0.489
MAT-POS-c20a539d-7
0.485
MAT-POS-90fd5f68-22
0.484
MAT-POS-90fd5f68-40
0.484
MAT-POS-90fd5f68-14
0.481
MAT-POS-90fd5f68-24
0.479
MAT-POS-90fd5f68-37
0.478
MAT-POS-8feb6e35-2
0.474
MAK-UNK-ffc90da7-9
0.473
MAT-POS-90fd5f68-16
0.472
MAT-POS-90fd5f68-33
0.471
PET-UNK-e274cad4-6
0.467
JIN-POS-6dc588a4-22
0.467
RUB-POS-1325a9ea-5
0.462
PET-UNK-b1ef24dc-4
0.462
JIN-POS-6dc588a4-12
0.462
ANN-UNI-98d2bf15-3
0.460
TRY-UNI-714a760b-3
0.460
JOH-UNI-abfda500-5
0.460
MAK-UNK-ffc90da7-6
0.457
RUB-POS-1325a9ea-15
0.457
MIC-UNK-51049f1a-6
0.456