Molecule Details
| Molecular Properties | |
| SMILES: | CS(=O)(=O)Oc1cc2c(NC(=O)Cc3cccc(Cl)c3)cncc2cc1F |
| 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-3
0.810
MAT-POS-29385cc1-1
0.759
PET-UNK-b38839dc-1
0.759
MAT-POS-29385cc1-2
0.663
MAT-POS-c20a539d-2
0.654
PET-UNK-d899bab6-2
0.643
PET-UNK-c6bcc80b-7
0.640
PET-UNK-b38839dc-2
0.631
PET-UNK-7fb4f80a-2
0.628
PET-UNK-7fb4f80a-1
0.621
MAT-POS-c20a539d-3
0.580
JIN-POS-6dc588a4-11
0.571
RUB-POS-1325a9ea-4
0.565
MAT-POS-90fd5f68-9
0.562
MAT-POS-90fd5f68-35
0.562
MAT-POS-90fd5f68-27
0.562
MAT-POS-90fd5f68-30
0.556
MAT-POS-90fd5f68-12
0.556
EDJ-MED-00c1612e-1
0.552
PET-UNK-8df914d1-1
0.552
MAT-POS-90fd5f68-39
0.551
MAT-POS-90fd5f68-10
0.549
JIN-POS-6dc588a4-13
0.548
MAT-POS-90fd5f68-40
0.547
MAT-POS-c20a539d-6
0.547
MAT-POS-29385cc1-3
0.547
MAT-POS-c20a539d-1
0.545
MAT-POS-c20a539d-8
0.544
MAT-POS-90fd5f68-17
0.544
MAT-POS-90fd5f68-28
0.543
MAT-POS-bb423b95-8
0.541
PET-UNK-f4e47ebd-2
0.539
MAT-POS-90fd5f68-29
0.539
PET-UNK-d899bab6-3
0.539
MAT-POS-90fd5f68-11
0.539
MAT-POS-90fd5f68-41
0.539
PET-UNK-f4e47ebd-1
0.539
MAT-POS-90fd5f68-6
0.533
MAT-POS-90fd5f68-18
0.533
MAT-POS-90fd5f68-36
0.533
MIC-UNK-fbef42b7-2
0.532
MAT-POS-90fd5f68-25
0.528
MAT-POS-90fd5f68-4
0.528
MAT-POS-90fd5f68-22
0.528
MAT-POS-90fd5f68-7
0.528
PET-UNK-d899bab6-1
0.528
MAT-POS-c0609ef7-1
0.528
MAT-POS-c20a539d-4
0.528
MIC-UNK-9dc9fcd1-1
0.527
MIC-UNK-9dc9fcd1-2
0.527
MAT-POS-c20a539d-7
0.527
ADA-UCB-6c2cb422-1
0.524
MAT-POS-f7918075-5
0.523
MAT-POS-90fd5f68-38
0.523
MAT-POS-90fd5f68-37
0.523
MAT-POS-90fd5f68-20
0.522
MAT-POS-90fd5f68-24
0.522
MAT-POS-bb423b95-1
0.518
MAT-POS-90fd5f68-19
0.517
MAT-POS-90fd5f68-1
0.517
MAT-POS-90fd5f68-2
0.516
JIN-POS-6dc588a4-18
0.511
MAT-POS-c20a539d-5
0.511
EDJ-MED-c5ca5386-2
0.511
PET-UNK-6314f867-2
0.511
MAT-POS-90fd5f68-3
0.511
MAT-POS-90fd5f68-21
0.511
MAT-POS-90fd5f68-23
0.511
MIC-UNK-4fbd4db9-5
0.510
MAT-POS-90fd5f68-33
0.510
MAT-POS-90fd5f68-15
0.510
MIC-UNK-4fbd4db9-6
0.510
MIC-UNK-50cce87d-1
0.506
RUB-POS-1325a9ea-2
0.506
MIC-UNK-fbef42b7-1
0.505
MAT-POS-90fd5f68-5
0.505
MIC-UNK-9dc9fcd1-3
0.505
MIC-UNK-9dc9fcd1-4
0.505
MIC-UNK-7574fcc6-1
0.500
MIC-UNK-9dc9fcd1-5
0.500
MIC-UNK-4fbd4db9-2
0.495
MIC-UNK-4fbd4db9-1
0.495
MAT-POS-90fd5f68-31
0.495
MAT-POS-90fd5f68-8
0.495
MIC-UNK-4fbd4db9-4
0.490
MAT-POS-90fd5f68-13
0.490
MAT-POS-90fd5f68-26
0.490
MAT-POS-29385cc1-4
0.489
JIN-POS-6dc588a4-12
0.489
EDJ-MED-c5ca5386-1
0.489
MAT-POS-8feb6e35-2
0.484
MAK-UNK-ffc90da7-6
0.480
MAK-UNK-ffc90da7-8
0.480
MIC-UNK-4fbd4db9-3
0.480
MAK-UNK-ffc90da7-3
0.480
MAT-POS-8feb6e35-1
0.478
RUB-POS-1325a9ea-9
0.478
MIC-UNK-50cce87d-4
0.478
JIN-POS-6dc588a4-22
0.477
RUB-POS-1325a9ea-5
0.472