Molecular Properties | |
SMILES: | CS(=O)(=O)CNC(=O)CN1Cc2ccccc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 452.15 |
Fraction sp3: | 0.26 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 108.47 |
cLogP: | 1.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-54fbebd8-4
0.789
EDJ-MED-54fbebd8-3
0.720
EDJ-MED-54fbebd8-1
0.674
EDJ-MED-54fbebd8-2
0.663
EDJ-MED-28cccd0c-2
0.592
EDJ-MED-139368ae-2
0.580
MAT-POS-5cd9ea36-15
0.575
EDJ-MED-139368ae-5
0.573
EDJ-MED-139368ae-3
0.567
EDJ-MED-c82a5324-3
0.565
MAT-POS-8293a91a-4
0.563
MAT-POS-8293a91a-5
0.563
MAT-POS-4223bc15-23
0.563
BEN-DND-fa51d92c-22
0.558
BEN-DND-fa51d92c-23
0.558
EDJ-MED-139368ae-4
0.558
EDJ-MED-28cccd0c-4
0.557
EDJ-MED-28cccd0c-3
0.556
BEN-DND-fa51d92c-24
0.553
EDJ-MED-139368ae-1
0.552
BEN-DND-fa51d92c-21
0.548
EDJ-MED-c40d95bc-2
0.544
MAT-POS-4223bc15-21
0.544
JOH-UNI-ededfdb6-1
0.537
EDJ-MED-28cccd0c-1
0.536
RAL-THA-ee48ba5f-5
0.533
MAT-POS-4223bc15-25
0.529
MAT-POS-4223bc15-22
0.523
MAT-POS-4223bc15-24
0.523
MAT-POS-5cd9ea36-13
0.523
EDJ-MED-c82a5324-2
0.523
NIR-WEI-dcc3321b-6
0.518
MAT-POS-24589f88-3
0.495
MAT-POS-dd3ad2b5-4
0.495
MAT-POS-24589f88-2
0.495
NIR-WEI-dcc3321b-4
0.488
RAL-THA-ee48ba5f-1
0.486
EDJ-MED-fa7708b3-1
0.486
RAL-THA-ee48ba5f-4
0.486
RAL-THA-ee48ba5f-2
0.482
EDJ-MED-e9a22d5d-1
0.481
MAT-POS-4223bc15-6
0.481
MAT-POS-4223bc15-27
0.477
MAT-POS-4223bc15-2
0.477
RAL-THA-ee48ba5f-6
0.474
BEN-DND-a02b439d-2
0.472
PET-UNK-162c14b2-1
0.472
MAT-POS-61f37a1a-12
0.472
NIR-WEI-dcc3321b-3
0.468
MAT-POS-4223bc15-1
0.468
MAT-POS-4223bc15-3
0.468
NIR-WEI-dcc3321b-1
0.468
RAL-THA-6e4c80cf-1
0.467
MAT-POS-4223bc15-19
0.467
EDJ-MED-c40d95bc-1
0.466
MAT-POS-5cd9ea36-17
0.464
EDJ-MED-cf877e1d-1
0.464
MAT-POS-4223bc15-7
0.464
MAT-POS-4223bc15-28
0.464
MAT-POS-4223bc15-15
0.464
PET-UNK-d61f3ea6-2
0.464
MIC-UNK-482af05e-2
0.464
MAT-POS-64942dd0-3
0.464
MAT-POS-4223bc15-26
0.464
ALP-POS-d054b76b-1
0.462
MAT-POS-dd3ad2b5-1
0.462
BEN-DND-f2e727cd-6
0.462
RAL-THA-ee48ba5f-3
0.462
CLI-TLC-36f34aa2-1
0.461
MAT-UNK-35705829-1
0.460
NIR-WEI-dcc3321b-5
0.460
EDJ-MED-7889e8da-3
0.459
EDJ-MED-0186a59b-2
0.459
BRU-THA-d60fe444-1
0.459
EDJ-MED-eb111c00-4
0.459
MAT-POS-4223bc15-13
0.459
EDJ-MED-ede277f6-6
0.458
EDJ-MED-4fff0a85-2
0.457
MAT-POS-5cd9ea36-10
0.457
MAT-POS-dd1fff26-1
0.457
MAT-POS-dd1fff26-2
0.457
EDJ-MED-7f6e5b75-1
0.456
MAT-UNK-04ae9652-1
0.456
EDJ-MED-76744c27-5
0.456
RAL-THA-a9c31980-1
0.456
LUO-POS-868e8996-3
0.456
LUO-POS-868e8996-4
0.456
PET-UNK-af70882d-4
0.456
ALP-POS-b3e0acc5-1
0.456
PET-UNK-af70882d-3
0.456
MAT-UNK-f490e871-1
0.456
BEN-DND-f6031113-23
0.455
MIC-UNK-482af05e-1
0.455
BEN-DND-a02b439d-3
0.455
MAT-POS-4223bc15-20
0.455
RAL-THA-6e4c80cf-2
0.455
MAT-POS-dd3ad2b5-5
0.455
BEN-DND-a02b439d-1
0.455
MAT-POS-b4d6b7fc-1
0.454
MAT-POS-dd3ad2b5-2
0.454