Molecular Properties | |
SMILES: | Cn1ccc2cncc(NC(=O)[C@@H]3CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)c21 |
MW: | 418.09 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 84.3 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-e274cad4-3
0.727
EDJ-MED-d1555997-2
0.641
PET-UNK-f4e47ebd-10
0.630
MAT-POS-24589f88-3
0.630
MAT-POS-dd3ad2b5-4
0.630
MAT-POS-24589f88-2
0.630
EDJ-MED-d1555997-1
0.628
ROB-CAM-4c532489-1
0.628
PET-UNK-b1ef24dc-25
0.624
PET-UNK-03fd2068-3
0.617
PET-UNK-f4e47ebd-9
0.617
PET-UNK-b1ef24dc-26
0.617
FRA-DIA-6238d354-2
0.611
PET-UNK-03fd2068-4
0.604
PET-UNK-e274cad4-10
0.602
PET-UNK-f4e47ebd-12
0.592
PET-UNK-f4e47ebd-11
0.586
PET-UNK-b38839dc-8
0.586
PET-UNK-b1ef24dc-28
0.583
PET-UNK-b38839dc-7
0.580
PET-UNK-b38839dc-6
0.573
ALP-POS-e6e0c683-3
0.573
PET-UNK-b1ef24dc-27
0.573
PET-UNK-7f7e354d-4
0.567
BEN-DND-f06bfa8e-9
0.567
PET-UNK-158bee2a-16
0.562
BEN-DND-f06bfa8e-8
0.561
PET-UNK-19e211a9-1
0.557
MAT-POS-bfd29aac-1
0.557
PET-UNK-158bee2a-14
0.551
BEN-DND-f06bfa8e-10
0.550
BEN-DND-f06bfa8e-7
0.545
PET-UNK-158bee2a-15
0.538
PET-UNK-b78139fa-4
0.537
PET-UNK-c761fc18-6
0.535
MAT-POS-81ae2990-1
0.533
PET-UNK-e274cad4-7
0.531
MAT-POS-4223bc15-6
0.530
PET-UNK-e274cad4-9
0.526
MAT-POS-4223bc15-2
0.525
PET-UNK-2c6614b6-4
0.520
PET-UNK-b1ef24dc-29
0.520
MAT-POS-4223bc15-1
0.515
EDJ-MED-670ad2ee-8
0.515
EDJ-MED-841e0cf0-6
0.515
BEN-DND-32596b04-7
0.515
EDJ-MED-670ad2ee-7
0.515
PET-UNK-b1ef24dc-30
0.515
MAT-POS-dd1fff26-1
0.514
MAT-POS-dd1fff26-2
0.514
EDJ-MED-4fff0a85-2
0.514
MAT-POS-5cd9ea36-10
0.514
MAT-POS-81ae2990-2
0.514
PET-UNK-d61f3ea6-2
0.510
XIA-UNK-50bd045a-1
0.509
MAT-POS-13080fc6-3
0.509
BRU-THA-d60fe444-1
0.505
EDJ-MED-841e0cf0-7
0.505
EDJ-MED-670ad2ee-9
0.505
EDJ-MED-670ad2ee-10
0.505
EDJ-MED-1981ceba-5
0.505
BEN-DND-32596b04-2
0.505
BEN-DND-32596b04-8
0.505
MAT-POS-81ae2990-3
0.505
EDJ-MED-ede277f6-11
0.505
MAT-POS-b4d6b7fc-8
0.500
MAT-POS-81ae2990-7
0.500
MAT-POS-4223bc15-3
0.500
EDJ-MED-1981ceba-2
0.500
PET-UNK-af70882d-3
0.500
PET-UNK-af70882d-4
0.500
EDJ-MED-76744c27-5
0.500
EDJ-MED-7f6e5b75-1
0.500
MAT-POS-13080fc6-1
0.496
MAT-POS-81ae2990-4
0.495
DAR-DIA-5e50e037-1
0.495
PET-UNK-19e211a9-2
0.495
MAT-POS-bfd29aac-2
0.495
PET-UNK-d61f3ea6-3
0.495
EDJ-MED-be9e6f63-4
0.495
EDJ-MED-7889e8da-4
0.495
MAT-POS-4223bc15-5
0.495
MAT-POS-5cd9ea36-17
0.495
EDJ-MED-4f4dd660-4
0.491
EDJ-MED-7889e8da-6
0.491
EDJ-MED-378a25ea-9
0.491
MAT-POS-c88128cb-1
0.491
PET-UNK-b38839dc-10
0.491
EDJ-MED-1981ceba-3
0.491
PET-UNK-b38839dc-11
0.491
PET-UNK-de87a406-1
0.491
EDJ-MED-76744c27-3
0.491
MAT-POS-5cd9ea36-24
0.491
PET-UNK-d61f3ea6-1
0.491
MAT-POS-4223bc15-29
0.491
MAT-POS-5cd9ea36-4
0.491
BRU-THA-98e973b9-1
0.490
EDJ-MED-670ad2ee-5
0.490
EDJ-MED-670ad2ee-6
0.490
EDJ-MED-841e0cf0-5
0.490