Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cccc(CN)c23)C1 |
MW: | 444.1 |
Fraction sp3: | 0.24 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.39 |
cLogP: | 2.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-d1555997-2
0.770
EDJ-MED-d1555997-1
0.753
MAT-POS-24589f88-3
0.628
MAT-POS-24589f88-2
0.628
PET-UNK-e274cad4-8
0.628
MAT-POS-dd3ad2b5-4
0.628
MAT-POS-81ae2990-1
0.621
PET-UNK-f4e47ebd-10
0.611
PET-UNK-b1ef24dc-25
0.604
PET-UNK-03fd2068-4
0.602
PET-UNK-b1ef24dc-26
0.598
PET-UNK-03fd2068-3
0.598
PET-UNK-f4e47ebd-9
0.598
PET-UNK-e274cad4-3
0.598
FRA-DIA-6238d354-2
0.592
EDJ-MED-ede277f6-11
0.589
ALP-POS-e6e0c683-3
0.588
MAT-POS-81ae2990-4
0.579
PET-UNK-f4e47ebd-12
0.574
MAT-POS-b4d6b7fc-8
0.570
MAT-POS-81ae2990-7
0.570
MAT-POS-81ae2990-2
0.570
EDJ-MED-ede277f6-3
0.569
PET-UNK-b38839dc-8
0.569
PET-UNK-f4e47ebd-11
0.569
BEN-DND-f06bfa8e-9
0.566
PET-UNK-b38839dc-7
0.563
BEN-DND-f06bfa8e-8
0.560
PET-UNK-b1ef24dc-27
0.556
PET-UNK-b38839dc-6
0.556
PET-UNK-7f7e354d-4
0.550
PET-UNK-b1ef24dc-28
0.550
MAT-POS-13080fc6-1
0.550
BEN-DND-f06bfa8e-10
0.549
BEN-DND-f06bfa8e-7
0.544
MAT-POS-81ae2990-5
0.532
MAT-POS-4223bc15-6
0.529
EDJ-MED-0186a59b-4
0.528
MIC-UNK-51049f1a-4
0.528
MAT-POS-81ae2990-8
0.523
MAT-POS-13080fc6-3
0.522
PET-UNK-158bee2a-15
0.521
MAT-POS-13080fc6-5
0.518
EDJ-MED-ede277f6-5
0.518
PET-UNK-158bee2a-14
0.516
MAT-POS-4223bc15-1
0.515
MAT-POS-4223bc15-3
0.515
MAT-POS-dd1fff26-2
0.514
MAT-POS-5cd9ea36-10
0.514
MAT-POS-dd1fff26-1
0.514
PET-UNK-158bee2a-16
0.511
PET-UNK-d61f3ea6-2
0.510
MAT-POS-4223bc15-2
0.510
MAT-POS-5cd9ea36-17
0.509
PET-UNK-158bee2a-13
0.505
BRU-THA-d60fe444-1
0.505
EDJ-MED-76744c27-3
0.505
BEN-DND-32596b04-8
0.505
MIC-UNK-51049f1a-3
0.505
PET-UNK-af70882d-3
0.500
EDJ-MED-76744c27-5
0.500
EDJ-MED-4fff0a85-2
0.500
MAT-POS-13080fc6-6
0.500
PET-UNK-af70882d-4
0.500
ANN-CHE-e1757302-2
0.500
BEN-DND-32596b04-7
0.500
EDJ-MED-7f6e5b75-1
0.500
MAT-POS-4223bc15-10
0.500
EDJ-MED-ede277f6-9
0.495
MAT-POS-5cd9ea36-23
0.495
PET-UNK-d61f3ea6-3
0.495
MAT-POS-5cd9ea36-16
0.495
MAT-POS-5cd9ea36-2
0.495
MAT-POS-4223bc15-5
0.495
MAT-POS-4223bc15-7
0.495
MAT-POS-4223bc15-15
0.495
MAT-POS-81ae2990-3
0.491
ALF-EVA-07677224-2
0.491
PET-UNK-de87a406-1
0.491
MAT-POS-5cd9ea36-4
0.491
MAT-POS-5cd9ea36-24
0.491
MAT-POS-4223bc15-29
0.491
PET-UNK-b1ef24dc-29
0.491
EDJ-MED-670ad2ee-5
0.491
BRU-THA-98e973b9-1
0.491
EDJ-MED-841e0cf0-5
0.491
EDJ-MED-841e0cf0-7
0.491
EDJ-MED-670ad2ee-6
0.491
EDJ-MED-670ad2ee-9
0.491
EDJ-MED-670ad2ee-10
0.491
MAT-POS-4223bc15-13
0.491
ALF-EVA-07677224-7
0.487
ALF-EVA-07677224-9
0.487
EDJ-MED-76744c27-4
0.487
MAT-POS-bf364d7a-7
0.487
MAT-POS-bf364d7a-8
0.487
BEN-DND-32596b04-5
0.486
ALF-EVA-0e90125c-4
0.486
PET-UNK-ff046148-4
0.486
MAT-POS-4223bc15-4
0.486