Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3occc23)C1 |
MW: | 405.06 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.51 |
cLogP: | 2.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-9
0.814
PET-UNK-19e211a9-4
0.719
PET-UNK-b1ef24dc-27
0.708
FRA-DIA-6238d354-2
0.656
PET-UNK-f4e47ebd-10
0.641
MAT-POS-24589f88-3
0.641
MAT-POS-dd3ad2b5-4
0.641
MAT-POS-24589f88-2
0.641
PET-UNK-03fd2068-3
0.628
PET-UNK-b1ef24dc-28
0.628
PET-UNK-f4e47ebd-9
0.628
PET-UNK-7f7e354d-4
0.628
PET-UNK-b1ef24dc-25
0.617
PET-UNK-03fd2068-4
0.615
PET-UNK-f4e47ebd-12
0.602
PET-UNK-f4e47ebd-11
0.596
PET-UNK-b38839dc-8
0.596
BEN-DND-f06bfa8e-9
0.594
PET-UNK-b38839dc-7
0.590
BEN-DND-f06bfa8e-8
0.588
ALP-POS-e6e0c683-3
0.583
PET-UNK-e274cad4-3
0.577
PET-UNK-b1ef24dc-26
0.577
PET-UNK-b1ef24dc-31
0.576
PET-UNK-e274cad4-8
0.573
EDJ-MED-d1555997-2
0.567
BEN-DND-f06bfa8e-10
0.560
MAT-POS-4223bc15-1
0.556
EDJ-MED-d1555997-1
0.556
ROB-CAM-4c532489-1
0.556
BEN-DND-f06bfa8e-7
0.554
PET-UNK-158bee2a-15
0.549
EDJ-MED-841e0cf0-7
0.545
EDJ-MED-670ad2ee-9
0.545
EDJ-MED-670ad2ee-10
0.545
PET-UNK-b38839dc-21
0.539
PET-UNK-d61f3ea6-2
0.535
PET-UNK-158bee2a-14
0.527
MAT-POS-4223bc15-6
0.525
PET-UNK-158bee2a-16
0.522
MAT-POS-4223bc15-2
0.520
PET-UNK-b38839dc-3
0.515
PET-UNK-b1ef24dc-35
0.515
PET-UNK-7f7e354d-5
0.515
MAT-POS-4223bc15-29
0.514
EDJ-MED-1981ceba-5
0.514
BEN-DND-32596b04-2
0.514
PET-UNK-b38839dc-15
0.510
MAT-POS-4223bc15-3
0.510
EDJ-MED-670ad2ee-8
0.510
EDJ-MED-841e0cf0-6
0.510
BEN-DND-32596b04-7
0.510
EDJ-MED-670ad2ee-7
0.510
PET-UNK-b1ef24dc-32
0.510
MAT-POS-5cd9ea36-19
0.509
MAT-POS-dd1fff26-1
0.509
MAT-POS-dd1fff26-2
0.509
MAT-POS-5cd9ea36-10
0.509
PET-UNK-b38839dc-12
0.505
PET-UNK-7279c968-4
0.505
MAT-POS-4223bc15-5
0.505
MAT-POS-4223bc15-7
0.505
MAT-POS-5cd9ea36-17
0.505
PET-UNK-d61f3ea6-3
0.505
BRU-THA-98e973b9-1
0.500
MAT-POS-81ae2990-3
0.500
BRU-THA-d60fe444-1
0.500
EDJ-MED-670ad2ee-5
0.500
EDJ-MED-670ad2ee-6
0.500
EDJ-MED-841e0cf0-5
0.500
PET-UNK-158bee2a-13
0.500
EDJ-MED-1981ceba-1
0.500
BEN-DND-32596b04-8
0.500
MAT-POS-4223bc15-13
0.500
MAT-POS-5cd9ea36-4
0.500
PET-UNK-b1ef24dc-29
0.500
EDJ-MED-378a25ea-10
0.496
ANN-CHE-e1757302-1
0.495
ALF-EVA-0e90125c-4
0.495
ALF-EVA-0e90125c-5
0.495
EDJ-MED-4fff0a85-2
0.495
PET-UNK-af70882d-3
0.495
PET-UNK-af70882d-4
0.495
EDJ-MED-76744c27-5
0.495
MAT-POS-5cd9ea36-20
0.495
EDJ-MED-7f6e5b75-1
0.495
EDJ-MED-1981ceba-2
0.495
EDJ-MED-ede277f6-12
0.491
MAT-POS-bf364d7a-1
0.491
MAT-POS-bf364d7a-2
0.491
EDJ-MED-4fff0a85-3
0.491
XIA-UNK-50bd045a-1
0.491
ANN-CHE-e1757302-3
0.491
MAT-POS-5cd9ea36-23
0.491
ALF-EVA-07677224-4
0.491
MAT-POS-5cd9ea36-16
0.491
ALF-EVA-07677224-3
0.491
MAT-POS-4223bc15-15
0.491
MAT-POS-5cd9ea36-2
0.491
EDJ-MED-343bb62d-3
0.490