Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccc(F)cc23)C1 |
MW: | 433.07 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-670ad2ee-10
0.826
EDJ-MED-841e0cf0-7
0.826
EDJ-MED-670ad2ee-9
0.826
EDJ-MED-670ad2ee-7
0.816
EDJ-MED-841e0cf0-6
0.816
EDJ-MED-670ad2ee-8
0.816
EDJ-MED-841e0cf0-5
0.805
EDJ-MED-670ad2ee-6
0.805
EDJ-MED-670ad2ee-5
0.805
MAT-POS-81ae2990-3
0.785
FRA-DIA-6238d354-2
0.782
PET-UNK-03fd2068-4
0.753
MAT-POS-dd3ad2b5-4
0.747
MAT-POS-24589f88-3
0.747
MAT-POS-24589f88-2
0.747
PET-UNK-03fd2068-5
0.744
MAT-POS-64942dd0-2
0.744
EDJ-MED-1b5395f9-5
0.742
EDJ-MED-1b5395f9-6
0.742
EDJ-MED-1b5395f9-4
0.742
PET-UNK-f4e47ebd-9
0.730
MAT-POS-81ae2990-6
0.724
MAT-POS-81ae2990-9
0.722
MAT-POS-b4d6b7fc-9
0.722
PET-UNK-b38839dc-7
0.702
EDJ-MED-009f762b-5
0.695
PET-UNK-f4e47ebd-10
0.689
PET-UNK-162c14b2-2
0.688
PET-UNK-f4e47ebd-11
0.674
PET-UNK-b38839dc-8
0.674
PET-UNK-f4e47ebd-12
0.663
PET-UNK-b1ef24dc-27
0.645
EDJ-MED-009f762b-1
0.644
MAT-POS-24589f88-16
0.644
EDJ-MED-009f762b-4
0.637
MAT-POS-61f37a1a-13
0.637
EDJ-MED-d1555997-1
0.632
EDJ-MED-d1555997-2
0.628
PET-UNK-b38839dc-6
0.628
EDJ-MED-009f762b-2
0.625
MAT-POS-24589f88-5
0.625
EDJ-MED-009f762b-3
0.625
MAT-POS-61f37a1a-5
0.625
PET-UNK-7f7e354d-4
0.621
PET-UNK-b1ef24dc-28
0.621
PET-UNK-e274cad4-8
0.617
MAT-POS-4223bc15-1
0.615
MAT-POS-4223bc15-6
0.615
PET-UNK-b1ef24dc-25
0.611
MAT-POS-4223bc15-2
0.608
PET-UNK-d61f3ea6-2
0.608
PET-UNK-b1ef24dc-26
0.604
PET-UNK-e274cad4-3
0.604
BRU-THA-98e973b9-1
0.602
BRU-THA-d60fe444-1
0.602
ROB-CAM-4c532489-1
0.598
MAT-POS-4223bc15-3
0.598
MAT-POS-c88128cb-1
0.596
BEN-DND-32596b04-7
0.596
EDJ-MED-76744c27-5
0.594
PET-UNK-ff046148-4
0.592
MAT-POS-5cd9ea36-10
0.592
MAT-POS-dd1fff26-1
0.592
MAT-POS-dd1fff26-2
0.592
MAT-POS-64942dd0-1
0.590
MAT-POS-5cd9ea36-17
0.590
PET-UNK-1b92fa34-2
0.589
EDJ-MED-378a25ea-10
0.589
MAT-POS-4223bc15-13
0.586
MAT-POS-4223bc15-29
0.584
MAT-POS-5cd9ea36-4
0.584
PET-UNK-de87a406-1
0.583
ALF-EVA-07677224-2
0.583
PET-UNK-b38839dc-10
0.583
BEN-DND-32596b04-8
0.583
EDJ-MED-1981ceba-2
0.580
PET-UNK-af70882d-4
0.578
EDJ-MED-7f6e5b75-1
0.578
PET-UNK-af70882d-3
0.578
MAT-POS-5cd9ea36-19
0.578
MAT-POS-5cd9ea36-20
0.578
EDJ-MED-378a25ea-26
0.578
MAT-POS-e36d57d9-1
0.578
MAT-POS-2e8b2191-9
0.578
MAT-POS-5c19d660-2
0.578
EDJ-MED-4fff0a85-2
0.577
BEN-DND-32596b04-5
0.577
MAT-POS-4223bc15-7
0.574
MAT-POS-4223bc15-15
0.574
MAT-POS-5cd9ea36-2
0.574
MAT-POS-4223bc15-5
0.574
MAT-POS-5cd9ea36-16
0.573
PET-UNK-d61f3ea6-3
0.573
ALF-EVA-07677224-3
0.573
XIA-UNK-50bd045a-1
0.571
PET-UNK-ff046148-2
0.571
PET-UNK-ff046148-3
0.570
EDJ-MED-ede277f6-10
0.569
PET-UNK-d61f3ea6-1
0.569
MAT-POS-5cd9ea36-24
0.569