Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)[C@@H]3CS(=O)(=O)Cc4ccc(Cl)cc43)c2c1 |
MW: | 464.03 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 110.27 |
cLogP: | 2.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
ALP-POS-e6e0c683-4
1.000
MAT-POS-1a13cd81-1
0.764
PET-UNK-329a9ce9-1
0.750
PET-UNK-329a9ce9-2
0.742
PET-UNK-1b92fa34-2
0.739
PET-UNK-329a9ce9-3
0.680
PET-UNK-1b92fa34-1
0.678
PET-UNK-1e13ef09-6
0.663
PET-UNK-329a9ce9-4
0.657
PET-UNK-1e13ef09-5
0.641
PET-UNK-1e13ef09-3
0.639
FRA-DIA-6238d354-2
0.635
PET-UNK-1e13ef09-1
0.615
PET-UNK-1e13ef09-4
0.606
PET-UNK-b1ef24dc-19
0.594
EDJ-MED-93390d0c-1
0.586
PET-UNK-e274cad4-5
0.582
PET-UNK-b1ef24dc-20
0.577
PET-UNK-e274cad4-10
0.577
BEN-DND-c852c98b-5
0.571
ERI-UCB-8d4e5055-4
0.571
EDJ-MED-827e7cb4-1
0.570
PET-UNK-b1ef24dc-18
0.567
PET-UNK-b1ef24dc-17
0.567
EDJ-MED-378a25ea-10
0.550
PET-UNK-1b92fa34-4
0.535
EDJ-MED-827e7cb4-2
0.528
EDJ-MED-ce467fd5-1
0.528
EDJ-MED-827e7cb4-3
0.528
BEN-DND-a02b439d-11
0.524
BEN-DND-a02b439d-10
0.520
PET-UNK-b566c0b0-2
0.519
TET-ENA-9b1de71a-1
0.510
MAT-POS-96f51285-4
0.510
EDJ-MED-611d11e7-3
0.510
MAT-POS-edabd372-1
0.510
MAT-POS-64942dd0-1
0.505
EDJ-MED-611d11e7-2
0.500
ALP-UNI-8d415491-5
0.500
RAL-THA-b9d6aec1-2
0.491
RAL-THA-b9d6aec1-3
0.486
PET-UNK-03fd2068-3
0.486
EDJ-MED-ce467fd5-2
0.478
RAL-THA-b9d6aec1-1
0.477
EDJ-MED-378a25ea-12
0.474
EDJ-MED-670ad2ee-10
0.472
EDJ-MED-841e0cf0-7
0.472
EDJ-MED-670ad2ee-9
0.472
PET-UNK-1b92fa34-3
0.467
EDJ-MED-827e7cb4-9
0.467
EDJ-MED-827e7cb4-4
0.463
PET-UNK-b78139fa-7
0.456
EDJ-MED-670ad2ee-7
0.455
EDJ-MED-841e0cf0-6
0.455
EDJ-MED-670ad2ee-8
0.455
EDJ-MED-670ad2ee-4
0.454
EDJ-MED-841e0cf0-4
0.454
EDJ-MED-ce467fd5-4
0.452
MAT-POS-c88128cb-2
0.450
FRA-DIA-6238d354-1
0.446
EDJ-MED-923a35c2-1
0.446
EDJ-MED-827e7cb4-6
0.446
EDJ-MED-841e0cf0-5
0.445
EDJ-MED-670ad2ee-6
0.445
EDJ-MED-670ad2ee-5
0.445
MAT-POS-2e8b2191-10
0.444
EDJ-MED-827e7cb4-5
0.444
PET-UNK-09a29654-1
0.442
MAT-POS-24589f88-2
0.439
MAT-POS-dd3ad2b5-4
0.439
MAT-POS-24589f88-3
0.439
MAT-POS-78ab8081-3
0.439
EDJ-MED-d9f3798e-3
0.438
MAT-POS-81ae2990-3
0.436
EDJ-MED-f9b78f78-1
0.435
EDJ-MED-d9f3798e-2
0.434
MAT-POS-96f51285-2
0.432
EDJ-MED-611d11e7-1
0.432
MAT-POS-edabd372-2
0.432
PET-UNK-f4e47ebd-9
0.431
MAT-POS-83f73d0a-1
0.431
MAT-POS-666635d5-2
0.431
MAT-POS-78ab8081-5
0.431
PET-UNK-e9bc7c59-1
0.430
EDJ-MED-ede277f6-12
0.430
EDJ-MED-7889e8da-5
0.427
EDJ-MED-0186a59b-3
0.427
MAT-POS-4223bc15-1
0.427
EDJ-MED-93390d0c-2
0.427
PET-UNK-e9bc7c59-4
0.426
MAT-POS-81ae2990-6
0.425
EDJ-MED-d9f3798e-1
0.425
MAT-POS-c88128cb-1
0.424
RAL-THA-ee48ba5f-5
0.423
EDJ-MED-1981ceba-5
0.422
BEN-DND-32596b04-2
0.422
MAT-POS-7ddaf7de-2
0.422
ERI-UCB-8d4e5055-3
0.422
BEN-DND-f2e727cd-6
0.421
MAT-POS-dd3ad2b5-1
0.421