Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2ccns2)C1 |
MW: | 371.02 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 2.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
VLA-UNK-4cf5aa07-1
PET-UNK-158bee2a-16
0.671
PET-UNK-158bee2a-15
0.662
PET-UNK-158bee2a-13
0.614
PET-UNK-b1ef24dc-26
0.591
PET-UNK-b1ef24dc-28
0.573
PET-UNK-7f7e354d-4
0.556
PET-UNK-f4e47ebd-10
0.551
PET-UNK-e274cad4-8
0.551
EDJ-MED-d1555997-2
0.544
PET-UNK-f4e47ebd-9
0.538
PET-UNK-e274cad4-3
0.538
MAT-POS-24589f88-3
0.533
MAT-POS-24589f88-2
0.533
MAT-POS-dd3ad2b5-4
0.533
PET-UNK-158bee2a-6
0.532
ALP-POS-e6e0c683-3
0.527
PET-UNK-b1ef24dc-25
0.527
PET-UNK-b1ef24dc-27
0.527
PET-UNK-b38839dc-6
0.527
PET-UNK-03fd2068-4
0.527
PET-UNK-03fd2068-3
0.522
BEN-DND-f06bfa8e-9
0.522
EDJ-MED-d1555997-1
0.516
BEN-DND-f06bfa8e-8
0.516
ROB-CAM-4c532489-1
0.516
FRA-DIA-6238d354-2
0.516
PET-UNK-f4e47ebd-12
0.516
BEN-DND-f06bfa8e-10
0.505
BEN-DND-f06bfa8e-7
0.500
PET-UNK-b38839dc-8
0.495
PET-UNK-f4e47ebd-11
0.495
PET-UNK-b38839dc-7
0.490
PET-UNK-b1ef24dc-30
0.469
PET-UNK-b1ef24dc-32
0.455
EDJ-MED-343bb62d-3
0.448
PET-UNK-7f7e354d-5
0.444
EDJ-MED-ee742daa-4
0.443
PET-UNK-158bee2a-10
0.442
MAT-POS-4223bc15-6
0.424
MAT-POS-4223bc15-1
0.424
PET-UNK-d61f3ea6-2
0.420
MAT-POS-4223bc15-2
0.420
PET-UNK-b1ef24dc-29
0.416
PET-UNK-b1ef24dc-31
0.416
EDJ-MED-841e0cf0-7
0.416
EDJ-MED-670ad2ee-10
0.416
EDJ-MED-670ad2ee-9
0.416
PET-UNK-b38839dc-9
0.416
MAT-POS-dd1fff26-1
0.415
MAT-POS-dd1fff26-2
0.415
MAT-POS-5cd9ea36-10
0.415
EDJ-MED-76744c27-5
0.413
MAT-POS-5cd9ea36-20
0.413
EDJ-MED-670ad2ee-8
0.412
BEN-DND-32596b04-7
0.412
EDJ-MED-fb79a796-3
0.412
EDJ-MED-841e0cf0-6
0.412
EDJ-MED-670ad2ee-7
0.412
ALF-EVA-07677224-1
0.411
XIA-UNK-50bd045a-1
0.411
MAT-POS-4223bc15-3
0.410
MAT-POS-5cd9ea36-17
0.408
MAT-POS-81ae2990-1
0.407
MAT-POS-81ae2990-3
0.407
BEN-DND-32596b04-8
0.406
EDJ-MED-1981ceba-3
0.406
MAT-POS-4223bc15-29
0.404
EDJ-MED-76744c27-3
0.404
MAT-POS-5cd9ea36-4
0.404
MAT-POS-81ae2990-2
0.404
MAT-POS-4223bc15-13
0.402
EDJ-MED-670ad2ee-6
0.402
EDJ-MED-670ad2ee-5
0.402
BRU-THA-98e973b9-1
0.402
BRU-THA-d60fe444-1
0.402
EDJ-MED-841e0cf0-5
0.402
EDJ-MED-4fff0a85-2
0.402
PET-UNK-ff046148-4
0.402
MAT-POS-4223bc15-30
0.402
ALF-EVA-07677224-6
0.402
ALF-EVA-0e90125c-4
0.402
EDJ-MED-ede277f6-12
0.402
PET-UNK-b1ef24dc-34
0.400
PET-UNK-af70882d-3
0.400
MAT-POS-5cd9ea36-19
0.400
EDJ-MED-7f6e5b75-1
0.400
PET-UNK-af70882d-4
0.400
EDJ-MED-1981ceba-2
0.398
EDJ-MED-378a25ea-9
0.396
EDJ-MED-7889e8da-6
0.396
PET-UNK-d61f3ea6-3
0.396
PET-UNK-af70882d-2
0.396
MAT-POS-5cd9ea36-16
0.396
ALF-EVA-07677224-5
0.394
MAT-POS-c88128cb-1
0.394
MAT-POS-4223bc15-31
0.394
EDJ-MED-343bb62d-4
0.394
MAT-POS-4223bc15-15
0.394
MAT-POS-5cd9ea36-2
0.394
MAT-POS-4223bc15-5
0.394