Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)Oc1cc2cncc(NC(=O)Cc3cccc(Cl)c3)c2cc1F |
| MW: | 408.03 |
| Fraction sp3: | 0.11 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 5 |
| TPSA: | 85.36 |
| cLogP: | 3.55 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Sulfonic acid
Sulfonic acid esters
S/PO3 groups
Hetero_hetero
aromatic Sulfonic ester
sulphates
EDG-MED-10fcb19e-1
PET-UNK-7fb4f80a-4
0.810
MAT-POS-29385cc1-2
0.756
PET-UNK-c6bcc80b-7
0.687
PET-UNK-b38839dc-1
0.663
MAT-POS-29385cc1-1
0.663
MAT-POS-c20a539d-2
0.642
PET-UNK-7fb4f80a-2
0.635
PET-UNK-7fb4f80a-1
0.628
PET-UNK-d899bab6-2
0.612
PET-UNK-b38839dc-2
0.600
JIN-POS-6dc588a4-11
0.598
RUB-POS-1325a9ea-4
0.571
MAT-POS-90fd5f68-35
0.568
MAT-POS-90fd5f68-27
0.568
MAT-POS-90fd5f68-9
0.568
MAT-POS-90fd5f68-12
0.562
MAT-POS-90fd5f68-30
0.562
EDJ-MED-00c1612e-1
0.558
PET-UNK-8df914d1-1
0.558
MAT-POS-90fd5f68-10
0.556
MAT-POS-c20a539d-6
0.553
MAT-POS-29385cc1-3
0.553
MAT-POS-c20a539d-1
0.552
MAT-POS-c20a539d-4
0.552
MAT-POS-c20a539d-3
0.551
MAT-POS-c20a539d-8
0.551
MAT-POS-90fd5f68-17
0.551
MAT-POS-90fd5f68-28
0.549
MAT-POS-bb423b95-8
0.548
PET-UNK-d899bab6-3
0.545
MAT-POS-90fd5f68-11
0.545
MAT-POS-90fd5f68-41
0.545
PET-UNK-f4e47ebd-1
0.545
PET-UNK-f4e47ebd-2
0.545
MAT-POS-90fd5f68-29
0.545
MAT-POS-90fd5f68-6
0.539
MAT-POS-90fd5f68-39
0.539
MAT-POS-90fd5f68-18
0.538
MAT-POS-90fd5f68-36
0.538
MIC-UNK-fbef42b7-2
0.538
MAT-POS-90fd5f68-40
0.535
MAT-POS-90fd5f68-25
0.534
MAT-POS-90fd5f68-4
0.534
MAT-POS-90fd5f68-22
0.534
MAT-POS-90fd5f68-7
0.534
PET-UNK-d899bab6-1
0.534
MAT-POS-c0609ef7-1
0.534
MIC-UNK-9dc9fcd1-1
0.533
MAT-POS-c20a539d-7
0.533
ADA-UCB-6c2cb422-1
0.530
MAT-POS-f7918075-5
0.529
MAT-POS-90fd5f68-38
0.529
MAT-POS-90fd5f68-37
0.529
MAT-POS-90fd5f68-20
0.528
MAT-POS-90fd5f68-24
0.527
MIC-UNK-9dc9fcd1-4
0.526
MAT-POS-bb423b95-1
0.524
MIC-UNK-7574fcc6-1
0.523
MAT-POS-90fd5f68-1
0.523
MAT-POS-90fd5f68-19
0.523
MAT-POS-90fd5f68-2
0.522
JIN-POS-6dc588a4-13
0.518
JIN-POS-6dc588a4-18
0.517
PET-UNK-6314f867-2
0.517
MAT-POS-c20a539d-5
0.517
MAT-POS-90fd5f68-3
0.516
MAT-POS-90fd5f68-21
0.516
MAT-POS-90fd5f68-23
0.516
MIC-UNK-9dc9fcd1-2
0.516
MAT-POS-90fd5f68-33
0.515
MAT-POS-90fd5f68-15
0.515
MIC-UNK-4fbd4db9-1
0.515
MIC-UNK-4fbd4db9-5
0.515
MIC-UNK-50cce87d-1
0.512
EDJ-MED-c5ca5386-1
0.512
RUB-POS-1325a9ea-2
0.512
MAT-POS-29385cc1-4
0.511
MIC-UNK-fbef42b7-1
0.511
MAT-POS-90fd5f68-5
0.511
MIC-UNK-9dc9fcd1-3
0.510
MIC-UNK-9dc9fcd1-5
0.505
MAT-POS-90fd5f68-8
0.500
MAT-POS-90fd5f68-31
0.500
EDJ-MED-c5ca5386-2
0.500
MIC-UNK-4fbd4db9-3
0.500
MIC-UNK-4fbd4db9-6
0.500
MAT-POS-90fd5f68-13
0.495
MAT-POS-90fd5f68-26
0.495
JIN-POS-6dc588a4-12
0.494
MAT-POS-8feb6e35-2
0.489
MAT-POS-bb423b95-9
0.488
MAK-UNK-ffc90da7-6
0.485
MIC-UNK-4fbd4db9-2
0.485
MAK-UNK-ffc90da7-8
0.485
MAK-UNK-ffc90da7-3
0.485
MAT-POS-8feb6e35-1
0.484
RUB-POS-1325a9ea-9
0.483
MIC-UNK-50cce87d-4
0.483
JIN-POS-6dc588a4-22
0.483
MIC-UNK-4fbd4db9-4
0.480