Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3sncc23)C1 |
MW: | 451.05 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 95.5 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b1ef24dc-28
0.816
PET-UNK-7f7e354d-5
0.731
PET-UNK-b1ef24dc-36
0.699
PET-UNK-b1ef24dc-30
0.653
MAT-POS-4223bc15-2
0.649
PET-UNK-b1ef24dc-31
0.643
PET-UNK-b38839dc-9
0.643
EDJ-MED-841e0cf0-6
0.636
EDJ-MED-670ad2ee-8
0.636
EDJ-MED-670ad2ee-7
0.636
PET-UNK-b38839dc-10
0.606
PET-UNK-b38839dc-11
0.606
EDJ-MED-ee742daa-4
0.596
PET-UNK-7f7e354d-4
0.596
PET-UNK-b1ef24dc-29
0.578
MAT-POS-5cd9ea36-20
0.571
PET-UNK-b1ef24dc-20
0.566
MAT-POS-5cd9ea36-18
0.560
MAT-POS-5cd9ea36-19
0.557
MAT-POS-5cd9ea36-16
0.551
PET-UNK-f4e47ebd-12
0.543
MAT-POS-5cd9ea36-23
0.536
MAT-POS-af1eef35-2
0.536
MAT-POS-51135489-1
0.536
EDJ-MED-e18764cb-3
0.536
PET-UNK-c65ea24c-8
0.532
PET-UNK-615ad708-4
0.527
PET-UNK-19e211a9-3
0.527
PET-UNK-615ad708-1
0.527
PET-UNK-b1ef24dc-8
0.525
BEN-DND-32596b04-4
0.522
MAT-POS-5cd9ea36-21
0.522
EDJ-MED-ede277f6-1
0.522
PET-UNK-b1ef24dc-26
0.519
MAT-POS-5cd9ea36-22
0.518
MAT-POS-dd3ad2b5-4
0.515
MAT-POS-24589f88-3
0.515
PET-UNK-f4e47ebd-10
0.515
MAT-POS-24589f88-2
0.515
PET-UNK-b1ef24dc-24
0.510
PET-UNK-b38839dc-6
0.510
PET-UNK-b1ef24dc-27
0.510
PET-UNK-03fd2068-4
0.509
EDJ-MED-ede277f6-2
0.509
PET-UNK-f4e47ebd-9
0.505
PET-UNK-03fd2068-3
0.505
PET-UNK-7f7e354d-6
0.505
MAT-POS-4223bc15-3
0.500
PET-UNK-b1ef24dc-12
0.500
MAT-POS-4223bc15-1
0.500
MAT-POS-4223bc15-6
0.500
PET-UNK-ff046148-4
0.500
PET-UNK-af70882d-3
0.500
PET-UNK-b1ef24dc-16
0.500
FRA-DIA-6238d354-2
0.500
ALF-EVA-07677224-6
0.500
ALF-EVA-0e90125c-4
0.500
PET-UNK-d61f3ea6-2
0.495
PET-UNK-b38839dc-7
0.491
EDJ-MED-670ad2ee-6
0.491
MAT-POS-4223bc15-13
0.491
EDJ-MED-670ad2ee-10
0.491
EDJ-MED-841e0cf0-5
0.491
EDJ-MED-670ad2ee-5
0.491
EDJ-MED-670ad2ee-9
0.491
EDJ-MED-841e0cf0-7
0.491
MAT-POS-4223bc15-11
0.487
EDJ-MED-7f6e5b75-1
0.486
EDJ-MED-76744c27-5
0.486
PET-UNK-af70882d-4
0.486
BEN-DND-32596b04-7
0.486
PET-UNK-c65ea24c-2
0.486
EDJ-MED-1981ceba-2
0.486
PET-UNK-e274cad4-8
0.486
ALF-EVA-07677224-1
0.482
PET-UNK-ff046148-2
0.482
PET-UNK-615ad708-5
0.482
PET-UNK-ff046148-1
0.482
PET-UNK-615ad708-2
0.482
MAT-POS-5cd9ea36-2
0.482
MAT-POS-5cd9ea36-17
0.482
PET-UNK-f4e47ebd-11
0.482
PET-UNK-b38839dc-8
0.482
EDJ-MED-1981ceba-3
0.478
EDJ-MED-1981ceba-5
0.478
BEN-DND-32596b04-8
0.478
PET-UNK-de87a406-1
0.478
BEN-DND-32596b04-2
0.478
MAT-POS-5cd9ea36-4
0.477
MAT-POS-4223bc15-29
0.477
EDJ-MED-76744c27-3
0.477
PET-UNK-d61f3ea6-1
0.477
BRU-THA-98e973b9-1
0.477
BRU-THA-d60fe444-1
0.477
PET-UNK-158bee2a-15
0.475
BEN-DND-32596b04-6
0.474
ANN-CHE-e1757302-1
0.474
EDJ-MED-4fff0a85-2
0.474
MAT-POS-5cd9ea36-10
0.474
MAT-POS-dd1fff26-1
0.474