Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3sncc23)C1 |
MW: | 422.03 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.26 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b1ef24dc-32
0.816
PET-UNK-b1ef24dc-36
0.730
PET-UNK-7f7e354d-4
0.711
PET-UNK-f4e47ebd-12
0.646
PET-UNK-b1ef24dc-26
0.638
MAT-POS-24589f88-3
0.634
MAT-POS-dd3ad2b5-4
0.634
MAT-POS-24589f88-2
0.634
PET-UNK-f4e47ebd-10
0.634
PET-UNK-b1ef24dc-27
0.628
PET-UNK-b38839dc-6
0.628
PET-UNK-03fd2068-4
0.625
PET-UNK-f4e47ebd-9
0.621
PET-UNK-03fd2068-3
0.621
FRA-DIA-6238d354-2
0.615
PET-UNK-158bee2a-15
0.596
PET-UNK-f4e47ebd-11
0.590
PET-UNK-b38839dc-8
0.590
PET-UNK-b1ef24dc-20
0.589
PET-UNK-7f7e354d-5
0.586
PET-UNK-158bee2a-16
0.584
PET-UNK-b38839dc-7
0.584
PET-UNK-e274cad4-8
0.583
PET-UNK-158bee2a-14
0.573
ALP-POS-e6e0c683-3
0.561
PET-UNK-b1ef24dc-25
0.561
EDJ-MED-d1555997-2
0.561
BEN-DND-f06bfa8e-9
0.556
PET-UNK-e274cad4-3
0.556
BEN-DND-f06bfa8e-10
0.554
BEN-DND-f06bfa8e-8
0.550
EDJ-MED-d1555997-1
0.550
ROB-CAM-4c532489-1
0.550
BEN-DND-f06bfa8e-7
0.549
PET-UNK-c65ea24c-2
0.549
PET-UNK-615ad708-4
0.532
PET-UNK-19e211a9-3
0.532
PET-UNK-615ad708-1
0.532
PET-UNK-b1ef24dc-8
0.531
PET-UNK-b1ef24dc-24
0.531
PET-UNK-158bee2a-13
0.526
PET-UNK-b1ef24dc-12
0.520
PET-UNK-b1ef24dc-16
0.520
MAT-POS-4223bc15-1
0.520
MAT-POS-4223bc15-3
0.520
MAT-POS-4223bc15-6
0.520
PET-UNK-b1ef24dc-30
0.519
MAT-POS-5cd9ea36-10
0.519
MAT-POS-dd1fff26-1
0.519
MAT-POS-dd1fff26-2
0.519
PET-UNK-d61f3ea6-2
0.515
MAT-POS-4223bc15-2
0.515
PET-UNK-7f7e354d-6
0.510
EDJ-MED-670ad2ee-9
0.510
PET-UNK-b1ef24dc-31
0.510
PET-UNK-b38839dc-9
0.510
EDJ-MED-841e0cf0-5
0.510
EDJ-MED-841e0cf0-7
0.510
EDJ-MED-670ad2ee-5
0.510
EDJ-MED-670ad2ee-6
0.510
EDJ-MED-670ad2ee-10
0.510
MAT-POS-4223bc15-13
0.510
MAT-POS-81ae2990-3
0.509
EDJ-MED-841e0cf0-6
0.505
BEN-DND-32596b04-7
0.505
EDJ-MED-670ad2ee-7
0.505
EDJ-MED-670ad2ee-8
0.505
PET-UNK-af70882d-4
0.505
MAT-POS-5cd9ea36-20
0.505
EDJ-MED-7f6e5b75-1
0.505
EDJ-MED-76744c27-5
0.505
ALF-EVA-07677224-6
0.505
EDJ-MED-4fff0a85-2
0.505
PET-UNK-615ad708-5
0.500
MAT-POS-5cd9ea36-17
0.500
ALF-EVA-07677224-1
0.500
PET-UNK-615ad708-2
0.500
PET-UNK-ff046148-1
0.500
PET-UNK-ff046148-2
0.500
MAT-POS-5cd9ea36-2
0.500
MAT-POS-5cd9ea36-18
0.495
PET-UNK-de87a406-1
0.495
BEN-DND-32596b04-8
0.495
MAT-POS-4223bc15-29
0.495
EDJ-MED-76744c27-3
0.495
MAT-POS-5cd9ea36-4
0.495
BRU-THA-98e973b9-1
0.495
BRU-THA-d60fe444-1
0.495
ANN-CHE-e1757302-1
0.491
PET-UNK-ff046148-4
0.491
ALF-EVA-0e90125c-4
0.491
MAT-POS-4223bc15-10
0.491
MAT-POS-4223bc15-11
0.491
MAT-POS-4223bc15-9
0.491
MAT-POS-61f37a1a-2
0.491
PET-UNK-af70882d-3
0.491
MAT-POS-5cd9ea36-19
0.491
MAT-POS-5cd9ea36-3
0.491
EDJ-MED-1981ceba-2
0.491
PET-UNK-ff046148-3
0.487