Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3oncc23)C1 |
MW: | 406.05 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 105.4 |
cLogP: | 2.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-b1ef24dc-31
0.814
PET-UNK-b1ef24dc-35
0.739
PET-UNK-b38839dc-6
0.708
PET-UNK-b1ef24dc-25
0.652
PET-UNK-03fd2068-3
0.645
MAT-POS-24589f88-3
0.641
MAT-POS-24589f88-2
0.641
PET-UNK-f4e47ebd-10
0.641
MAT-POS-dd3ad2b5-4
0.641
FRA-DIA-6238d354-2
0.638
PET-UNK-f4e47ebd-9
0.628
PET-UNK-b1ef24dc-28
0.628
PET-UNK-7f7e354d-4
0.628
PET-UNK-03fd2068-4
0.615
PET-UNK-f4e47ebd-12
0.602
PET-UNK-f4e47ebd-11
0.596
PET-UNK-b38839dc-8
0.596
PET-UNK-b1ef24dc-19
0.596
PET-UNK-b38839dc-7
0.590
ALP-POS-e6e0c683-3
0.583
BEN-DND-f06bfa8e-9
0.577
PET-UNK-b38839dc-9
0.576
PET-UNK-e274cad4-8
0.573
BEN-DND-f06bfa8e-8
0.571
EDJ-MED-d1555997-1
0.571
EDJ-MED-d1555997-2
0.567
PET-UNK-c65ea24c-3
0.566
PET-UNK-b1ef24dc-26
0.561
PET-UNK-e274cad4-3
0.561
EDJ-MED-841e0cf0-7
0.560
EDJ-MED-670ad2ee-10
0.560
EDJ-MED-670ad2ee-9
0.560
MAT-POS-4223bc15-1
0.556
ROB-CAM-4c532489-1
0.556
BEN-DND-f06bfa8e-10
0.545
BEN-DND-f06bfa8e-7
0.539
PET-UNK-b1ef24dc-7
0.537
PET-UNK-d61f3ea6-2
0.535
MAT-POS-5cd9ea36-17
0.534
PET-UNK-158bee2a-15
0.533
PET-UNK-b1ef24dc-11
0.531
PET-UNK-b1ef24dc-23
0.531
PET-UNK-b1ef24dc-29
0.529
PET-UNK-158bee2a-14
0.527
MAT-POS-4223bc15-6
0.525
EDJ-MED-841e0cf0-6
0.524
EDJ-MED-670ad2ee-7
0.524
EDJ-MED-670ad2ee-8
0.524
PET-UNK-158bee2a-16
0.522
PET-UNK-b1ef24dc-15
0.520
MAT-POS-4223bc15-2
0.520
MAT-POS-4223bc15-7
0.519
BRU-THA-d60fe444-1
0.515
EDJ-MED-670ad2ee-6
0.515
PET-UNK-7f7e354d-5
0.515
EDJ-MED-841e0cf0-5
0.515
EDJ-MED-670ad2ee-5
0.515
MAT-POS-4223bc15-29
0.514
MAT-POS-5cd9ea36-4
0.514
PET-UNK-19e211a9-4
0.514
MAT-POS-81ae2990-3
0.514
MAT-POS-4223bc15-3
0.510
PET-UNK-b1ef24dc-32
0.510
BEN-DND-32596b04-7
0.510
EDJ-MED-76744c27-5
0.509
PET-UNK-af70882d-4
0.509
MAT-POS-4223bc15-4
0.509
MAT-POS-5cd9ea36-10
0.509
BEN-DND-32596b04-5
0.509
MAT-POS-dd1fff26-1
0.509
MAT-POS-dd1fff26-2
0.509
BEN-DND-32596b04-6
0.509
MAT-POS-4223bc15-5
0.505
MAT-POS-5cd9ea36-2
0.505
PET-UNK-d61f3ea6-3
0.505
BEN-DND-32596b04-3
0.505
MAT-POS-4223bc15-13
0.500
BEN-DND-32596b04-8
0.500
BRU-THA-98e973b9-1
0.500
EDJ-MED-1981ceba-1
0.500
PET-UNK-158bee2a-13
0.500
EDJ-MED-4fff0a85-2
0.495
ANN-CHE-e1757302-2
0.495
MAT-POS-4223bc15-8
0.495
MAT-POS-4223bc15-9
0.495
MAT-POS-5cd9ea36-20
0.495
EDJ-MED-7f6e5b75-1
0.495
PET-UNK-af70882d-3
0.495
MAT-POS-5cd9ea36-3
0.495
MAT-POS-61f37a1a-2
0.495
MAT-POS-5cd9ea36-19
0.495
EDJ-MED-1981ceba-2
0.495
EDJ-MED-378a25ea-24
0.491
EDJ-MED-ede277f6-12
0.491
EDJ-MED-4fff0a85-3
0.491
MAT-POS-bf364d7a-1
0.491
MAT-POS-bf364d7a-2
0.491
ALF-EVA-07677224-1
0.491
XIA-UNK-50bd045a-1
0.491
BEN-DND-32596b04-9
0.491