Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)[C@@H]3CNCc4cc(Cl)c(Cl)cc43)c2c1 |
MW: | 449.04 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 88.16 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-3ccb8ef6-1
BEN-DND-a02b439d-14
0.667
BEN-DND-34fc7f90-6
0.652
BEN-DND-34fc7f90-5
0.644
BEN-DND-a02b439d-11
0.638
BEN-DND-34fc7f90-7
0.629
EDJ-MED-611d11e7-2
0.577
ALP-UNI-8d415491-5
0.577
EDJ-MED-827e7cb4-1
0.556
MAT-POS-64942dd0-1
0.534
EDJ-MED-611d11e7-3
0.525
MAT-POS-96f51285-4
0.525
FRA-DIA-6238d354-2
0.525
EDJ-MED-827e7cb4-4
0.520
ALP-POS-e6e0c683-4
0.520
PET-UNK-1e13ef09-2
0.520
BEN-DND-c852c98b-5
0.510
ERI-UCB-8d4e5055-4
0.510
EDJ-MED-93390d0c-1
0.510
EDJ-MED-1b5395f9-6
0.495
MAT-POS-1a13cd81-1
0.495
EDJ-MED-1b5395f9-4
0.495
EDJ-MED-1b5395f9-5
0.495
EDJ-MED-ce467fd5-2
0.491
MAT-POS-d8472c4f-5
0.475
MAT-POS-3ccb8ef6-1
0.475
MAT-POS-3ccb8ef6-2
0.475
BEN-DND-f2e727cd-5
0.475
EDJ-MED-827e7cb4-2
0.472
EDJ-MED-1b5395f9-3
0.467
EDJ-MED-1b5395f9-1
0.467
EDJ-MED-1b5395f9-2
0.467
MAT-POS-edabd372-1
0.467
EDJ-MED-827e7cb4-3
0.459
EDJ-MED-ce467fd5-1
0.459
EDJ-MED-378a25ea-10
0.457
TET-ENA-9b1de71a-1
0.453
EDJ-MED-ce467fd5-4
0.439
BEN-DND-a02b439d-5
0.436
RAL-THA-b9d6aec1-1
0.435
RAL-THA-b9d6aec1-2
0.435
RAL-THA-b9d6aec1-3
0.430
EDJ-MED-946e547c-1
0.429
BEN-DND-a02b439d-9
0.426
MAT-POS-edabd372-2
0.418
MAT-POS-64942dd0-2
0.418
PET-UNK-03fd2068-5
0.418
EDJ-MED-827e7cb4-9
0.418
ROB-UNI-6ee2df8c-1
0.417
BEN-DND-34fc7f90-2
0.413
EDJ-MED-d9f3798e-1
0.411
BEN-DND-34fc7f90-8
0.410
BEN-DND-a02b439d-15
0.410
EDJ-MED-f9b78f78-1
0.407
EDJ-MED-827e7cb4-6
0.407
EDJ-MED-d9f3798e-2
0.407
EDJ-MED-611d11e7-5
0.406
ALP-UNI-8d415491-6
0.406
MAT-POS-ec6d90b7-5
0.406
EDJ-MED-923a35c2-2
0.405
BEN-DND-a02b439d-2
0.404
EDJ-MED-827e7cb4-5
0.404
PET-UNK-03fd2068-3
0.404
ALF-EVA-b701bd13-4
0.402
BEN-DND-34fc7f90-3
0.402
EDJ-MED-841e0cf0-4
0.400
EDJ-MED-670ad2ee-4
0.400
PET-UNK-b566c0b0-2
0.398
EDJ-MED-923a35c2-3
0.398
EDJ-MED-923a35c2-1
0.395
FRA-DIA-6238d354-1
0.395
ALF-EVA-b701bd13-1
0.394
BEN-DND-34fc7f90-1
0.394
EDJ-MED-841e0cf0-7
0.393
EDJ-MED-670ad2ee-10
0.393
EDJ-MED-670ad2ee-9
0.393
PET-UNK-e9bc7c59-1
0.391
EDJ-MED-611d11e7-8
0.391
MAT-POS-ec6d90b7-6
0.391
MAT-POS-96f51285-6
0.391
MIC-UNK-8758c41d-2
0.390
EDJ-MED-378a25ea-12
0.388
PET-UNK-81b485b5-12
0.388
PET-UNK-81b485b5-26
0.388
BEN-DND-a02b439d-1
0.387
PET-UNK-329a9ce9-1
0.386
MAR-UCB-6ab2ec87-5
0.385
BEN-DND-34fc7f90-4
0.383
EDJ-MED-93390d0c-4
0.383
PET-UNK-1b92fa34-4
0.382
RAL-THA-05e671eb-2
0.381
RYA-UNI-6d7114fd-1
0.381
ALP-POS-869ac754-1
0.381
MAT-POS-96f51285-2
0.381
EDJ-MED-611d11e7-1
0.381
EDJ-MED-611d11e7-6
0.380
MAT-POS-ec6d90b7-7
0.380
MAT-POS-96f51285-5
0.380
ALF-EVA-82cf4849-10
0.378
BEN-DND-a02b439d-3
0.377
EDJ-MED-670ad2ee-7
0.377