Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2cncc(NC(=O)C3CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)c2c1 |
MW: | 493.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 113.51 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-03fd2068-3
0.782
EDJ-MED-378a25ea-10
0.745
MAT-POS-64942dd0-1
0.720
MAT-POS-dd3ad2b5-4
0.719
MAT-POS-24589f88-2
0.719
MAT-POS-24589f88-3
0.719
PET-UNK-f4e47ebd-9
0.703
PET-UNK-f4e47ebd-10
0.681
PET-UNK-f4e47ebd-11
0.667
PET-UNK-b38839dc-8
0.667
EDJ-MED-670ad2ee-9
0.663
EDJ-MED-841e0cf0-7
0.663
EDJ-MED-670ad2ee-10
0.663
PET-UNK-b38839dc-7
0.660
PET-UNK-b38839dc-6
0.656
PET-UNK-03fd2068-4
0.653
EDJ-MED-378a25ea-12
0.650
EDJ-MED-670ad2ee-8
0.639
EDJ-MED-841e0cf0-6
0.639
EDJ-MED-670ad2ee-7
0.639
PET-UNK-f4e47ebd-12
0.639
PET-UNK-b1ef24dc-27
0.638
ALP-POS-e6e0c683-4
0.635
PET-UNK-1e13ef09-2
0.635
EDJ-MED-841e0cf0-5
0.629
EDJ-MED-670ad2ee-5
0.629
EDJ-MED-670ad2ee-6
0.629
MAT-POS-81ae2990-3
0.621
PET-UNK-e274cad4-3
0.615
PET-UNK-b1ef24dc-28
0.615
PET-UNK-7f7e354d-4
0.615
PET-UNK-e274cad4-8
0.611
EDJ-MED-827e7cb4-2
0.610
MAT-POS-4223bc15-1
0.608
PET-UNK-b1ef24dc-25
0.604
EDJ-MED-d1555997-2
0.604
PET-UNK-b1ef24dc-26
0.598
BEN-DND-a02b439d-11
0.592
ROB-CAM-4c532489-1
0.592
MAT-POS-4223bc15-6
0.592
EDJ-MED-d1555997-1
0.592
MAT-POS-c88128cb-1
0.590
MAT-POS-4223bc15-2
0.586
PET-UNK-d61f3ea6-2
0.586
PET-UNK-03fd2068-5
0.580
MAT-POS-64942dd0-2
0.580
MAT-POS-4223bc15-29
0.578
ERI-UCB-8d4e5055-4
0.577
BEN-DND-c852c98b-5
0.577
EDJ-MED-1981ceba-5
0.577
EDJ-MED-827e7cb4-3
0.577
EDJ-MED-ce467fd5-1
0.577
BEN-DND-32596b04-2
0.577
EDJ-MED-1b5395f9-4
0.576
EDJ-MED-1b5395f9-6
0.576
EDJ-MED-1b5395f9-5
0.576
MAT-POS-4223bc15-3
0.576
BEN-DND-32596b04-7
0.574
MAT-POS-81ae2990-6
0.574
EDJ-MED-76744c27-5
0.573
EDJ-MED-378a25ea-26
0.573
MAT-POS-e36d57d9-1
0.573
MAT-POS-2e8b2191-9
0.573
MAT-POS-5cd9ea36-10
0.571
MAT-POS-78ab8081-3
0.571
MAT-POS-dd1fff26-1
0.571
MAT-POS-dd1fff26-2
0.571
EDJ-MED-378a25ea-34
0.570
MAT-POS-81ae2990-9
0.570
MAT-POS-b4d6b7fc-9
0.570
MAT-POS-5cd9ea36-17
0.569
BRU-THA-98e973b9-1
0.564
BRU-THA-d60fe444-1
0.564
MAT-POS-4223bc15-13
0.564
EDJ-MED-ede277f6-12
0.564
MAT-POS-5cd9ea36-4
0.563
MAT-POS-666635d5-2
0.562
MAT-POS-78ab8081-4
0.562
EDJ-MED-378a25ea-2
0.562
EDJ-MED-378a25ea-22
0.562
EDJ-MED-378a25ea-24
0.562
MAT-POS-83f73d0a-1
0.562
MAT-POS-78ab8081-5
0.562
BEN-DND-32596b04-8
0.562
EDJ-MED-93390d0c-1
0.560
EDJ-MED-841e0cf0-4
0.560
EDJ-MED-670ad2ee-4
0.560
EDJ-MED-827e7cb4-1
0.560
EDJ-MED-378a25ea-9
0.560
EDJ-MED-7889e8da-6
0.560
EDJ-MED-1981ceba-2
0.559
PET-UNK-19e211a9-10
0.559
PET-UNK-19e211a9-9
0.559
MAT-POS-97ec4bd1-2
0.559
MAT-POS-c88128cb-2
0.559
MAT-POS-78ab8081-6
0.559
MAT-POS-5c19d660-2
0.559
PET-UNK-af70882d-3
0.558
MAT-POS-5cd9ea36-19
0.558
PET-UNK-af70882d-4
0.558