Molecular Properties | |
SMILES: | NC(=O)CS(=O)(=O)c1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1 |
MW: | 417.06 |
Fraction sp3: | 0.11 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 119.22 |
cLogP: | 2.33 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
MIC-UNK-9dc9fcd1-2
MIC-UNK-fbef42b7-2
0.810
MAT-POS-c20a539d-8
0.792
MIC-UNK-4fbd4db9-3
0.750
MAT-POS-90fd5f68-11
0.744
MIC-UNK-9dc9fcd1-2
0.720
MIC-UNK-4fbd4db9-4
0.716
MIC-UNK-4fbd4db9-1
0.709
MIC-UNK-4fbd4db9-5
0.709
MIC-UNK-4fbd4db9-2
0.705
MIC-UNK-9dc9fcd1-1
0.704
MAT-POS-90fd5f68-17
0.704
MAT-POS-90fd5f68-18
0.687
MIC-UNK-9dc9fcd1-3
0.686
MIC-UNK-4fbd4db9-6
0.685
MIC-UNK-9dc9fcd1-4
0.648
MIC-UNK-9dc9fcd1-5
0.640
MAT-POS-90fd5f68-1
0.634
MAT-POS-bb423b95-8
0.625
JIN-POS-6dc588a4-11
0.617
MAT-POS-90fd5f68-12
0.616
MAT-POS-29385cc1-3
0.610
MAT-POS-c20a539d-6
0.610
MAT-POS-90fd5f68-10
0.609
MAT-POS-90fd5f68-7
0.607
MAT-POS-90fd5f68-4
0.607
MAT-POS-90fd5f68-9
0.605
MAT-POS-90fd5f68-38
0.602
MAT-POS-90fd5f68-41
0.600
PET-UNK-7fb4f80a-1
0.591
MAT-POS-c20a539d-5
0.588
PET-UNK-6314f867-2
0.588
MAT-POS-c20a539d-4
0.588
MAT-POS-c0609ef7-1
0.588
MAT-POS-c20a539d-1
0.588
MAT-POS-90fd5f68-3
0.586
MAT-POS-90fd5f68-29
0.581
MAT-POS-90fd5f68-6
0.575
MAT-POS-90fd5f68-2
0.575
ADA-UCB-6c2cb422-1
0.568
MAT-POS-bb423b95-1
0.561
PET-UNK-c6bcc80b-7
0.556
MAT-POS-90fd5f68-8
0.549
MAT-POS-90fd5f68-5
0.543
MAT-POS-90fd5f68-13
0.543
MAT-POS-c20a539d-3
0.533
MAT-POS-90fd5f68-35
0.533
MAT-POS-f7918075-5
0.529
MAT-POS-c20a539d-2
0.529
MAT-POS-90fd5f68-19
0.523
PET-UNK-d899bab6-2
0.522
MAT-POS-90fd5f68-36
0.522
MAT-POS-90fd5f68-15
0.515
MAK-UNK-ffc90da7-3
0.515
MAK-UNK-ffc90da7-5
0.515
MAK-UNK-ffc90da7-8
0.515
PET-UNK-f4e47ebd-2
0.511
PET-UNK-b38839dc-2
0.511
PET-UNK-7fb4f80a-3
0.511
MAT-POS-29385cc1-2
0.505
PET-UNK-7fb4f80a-4
0.505
MAT-POS-90fd5f68-40
0.500
PET-UNK-b38839dc-1
0.500
RUB-POS-1325a9ea-4
0.500
MAT-POS-90fd5f68-25
0.500
PET-UNK-7f7e354d-7
0.500
MAT-POS-90fd5f68-28
0.500
MAT-POS-90fd5f68-27
0.500
PET-UNK-d899bab6-1
0.500
MAT-POS-29385cc1-1
0.500
MAT-POS-90fd5f68-14
0.495
MAT-POS-90fd5f68-30
0.495
PET-UNK-7fb4f80a-2
0.495
PET-UNK-d899bab6-3
0.495
MAT-POS-90fd5f68-37
0.494
JIN-POS-6dc588a4-12
0.494
MAT-POS-90fd5f68-39
0.489
PET-UNK-8df914d1-1
0.489
EDJ-MED-00c1612e-1
0.489
MAK-UNK-ffc90da7-9
0.486
MAT-POS-90fd5f68-16
0.485
MAT-POS-c20a539d-7
0.484
EDJ-MED-c5ca5386-2
0.484
MAT-POS-90fd5f68-22
0.484
MAT-POS-90fd5f68-24
0.479
PET-UNK-f4e47ebd-1
0.478
MAT-POS-90fd5f68-20
0.478
PET-UNK-b1ef24dc-3
0.477
ANN-UNI-98d2bf15-3
0.476
JOH-UNI-abfda500-5
0.476
MAT-POS-8feb6e35-2
0.473
MIC-UNK-51049f1a-6
0.471
MAT-POS-bb423b95-9
0.471
MAT-POS-90fd5f68-21
0.468
JIN-POS-6dc588a4-13
0.466
PET-UNK-b1ef24dc-1
0.466
JIN-POS-6dc588a4-22
0.466
RUB-POS-1325a9ea-13
0.466
RUB-POS-1325a9ea-5
0.461
PET-UNK-b1ef24dc-4
0.461
TRY-UNI-714a760b-3
0.459