Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3sccc23)C1 |
MW: | 421.03 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 79.37 |
cLogP: | 3.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-7f7e354d-5
0.826
PET-UNK-7f7e354d-6
0.730
PET-UNK-615ad708-1
0.722
PET-UNK-615ad708-4
0.722
PET-UNK-19e211a9-3
0.722
PET-UNK-b1ef24dc-28
0.711
PET-UNK-f4e47ebd-10
0.652
PET-UNK-f4e47ebd-12
0.646
PET-UNK-f4e47ebd-9
0.638
MAT-POS-24589f88-3
0.634
MAT-POS-dd3ad2b5-4
0.634
MAT-POS-24589f88-2
0.634
PET-UNK-b1ef24dc-27
0.628
PET-UNK-b38839dc-6
0.628
PET-UNK-03fd2068-4
0.625
PET-UNK-03fd2068-3
0.621
FRA-DIA-6238d354-2
0.615
PET-UNK-f4e47ebd-11
0.606
PET-UNK-b38839dc-7
0.600
PET-UNK-b1ef24dc-32
0.596
PET-UNK-b38839dc-8
0.590
BEN-DND-f06bfa8e-9
0.571
PET-UNK-b1ef24dc-26
0.571
PET-UNK-e274cad4-8
0.567
BEN-DND-f06bfa8e-8
0.566
ALP-POS-e6e0c683-3
0.561
EDJ-MED-d1555997-2
0.561
PET-UNK-b1ef24dc-25
0.561
PET-UNK-c65ea24c-6
0.560
PET-UNK-e274cad4-3
0.556
PET-UNK-158bee2a-14
0.556
EDJ-MED-d1555997-1
0.550
ROB-CAM-4c532489-1
0.550
BEN-DND-f06bfa8e-7
0.549
PET-UNK-158bee2a-15
0.543
BEN-DND-f06bfa8e-10
0.539
PET-UNK-158bee2a-16
0.533
MAT-POS-4223bc15-2
0.529
PET-UNK-b38839dc-9
0.524
PET-UNK-b1ef24dc-31
0.524
PET-UNK-7f7e354d-1
0.520
MAT-POS-4223bc15-1
0.520
MAT-POS-4223bc15-6
0.520
EDJ-MED-670ad2ee-8
0.519
EDJ-MED-841e0cf0-6
0.519
BEN-DND-32596b04-7
0.519
EDJ-MED-670ad2ee-7
0.519
PET-UNK-7f7e354d-2
0.515
PET-UNK-7f7e354d-3
0.515
PET-UNK-d61f3ea6-2
0.515
PET-UNK-158bee2a-13
0.510
PET-UNK-7279c968-3
0.510
PET-UNK-b1ef24dc-36
0.510
EDJ-MED-841e0cf0-7
0.510
EDJ-MED-670ad2ee-9
0.510
EDJ-MED-670ad2ee-10
0.510
EDJ-MED-1981ceba-3
0.509
EDJ-MED-1981ceba-5
0.509
BEN-DND-32596b04-2
0.509
BEN-DND-32596b04-8
0.509
MAT-POS-4223bc15-3
0.505
EDJ-MED-1981ceba-2
0.505
PET-UNK-af70882d-4
0.505
MAT-POS-dd1fff26-1
0.505
MAT-POS-dd1fff26-2
0.505
MAT-POS-5cd9ea36-10
0.505
MAT-POS-4223bc15-15
0.500
MAT-POS-5cd9ea36-17
0.500
MAT-POS-81ae2990-3
0.495
PET-UNK-b38839dc-10
0.495
PET-UNK-b38839dc-11
0.495
PET-UNK-d61f3ea6-1
0.495
MAT-POS-4223bc15-29
0.495
MAT-POS-5cd9ea36-4
0.495
BRU-THA-d60fe444-1
0.495
EDJ-MED-670ad2ee-5
0.495
EDJ-MED-670ad2ee-6
0.495
EDJ-MED-841e0cf0-5
0.495
MAT-POS-4223bc15-13
0.495
BRU-THA-98e973b9-1
0.495
EDJ-MED-ee742daa-4
0.495
MAT-POS-4223bc15-11
0.491
ANN-CHE-e1757302-1
0.491
EDJ-MED-4fff0a85-2
0.491
PET-UNK-ff046148-4
0.491
PET-UNK-af70882d-3
0.491
EDJ-MED-76744c27-5
0.491
MAT-POS-5cd9ea36-19
0.491
MAT-POS-5cd9ea36-20
0.491
EDJ-MED-7f6e5b75-1
0.491
XIA-UNK-50bd045a-1
0.486
ALF-EVA-07677224-1
0.486
PET-UNK-ff046148-2
0.486
PET-UNK-ff046148-1
0.486
PET-UNK-615ad708-5
0.486
EDJ-MED-1981ceba-4
0.486
PET-UNK-d61f3ea6-3
0.486
PET-UNK-615ad708-2
0.486
MAT-POS-5cd9ea36-16
0.486
MAT-POS-4223bc15-5
0.486