Chemoinformaics analysis of LEUCODELPHINIDIN
Molecular Weight | 322.269 | nRot | 1 |
Heavy Atom Molecular Weight | 308.157 | nRig | 17 |
Exact Molecular Weight | 322.069 | nRing | 3 |
Solubility: LogS | -3.026 | nHRing | 1 |
Solubility: LogP | -0.272 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 8 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 40.8011 |
nHD | 7 | BPOL | 15.7809 |
QED | 0.38 |
Synth | 3.816 |
Natural Product Likeliness | 2.321 |
NR-PPAR-gamma | 0.803 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.005 |
HIA | 0.473 |
CACO-2 | -6.462 |
MDCK | 0.00000381 |
BBB | 0.033 |
PPB | 0.897411 |
VDSS | 0.622 |
FU | 0.117375 |
CYP1A2-inh | 0.046 |
CYP1A2-sub | 0.078 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.082 |
CYP2c9-sub | 0.525 |
CYP2d6-inh | 0.024 |
CYP2d6-sub | 0.209 |
CYP3a4-inh | 0.055 |
CYP3a4-sub | 0.092 |
CL | 11.7 |
T12 | 0.823 |
hERG | 0.118 |
Ames | 0.418 |
ROA | 0.093 |
SkinSen | 0.94 |
Carcinogencity | 0.024 |
EI | 0.67 |
Respiratory | 0.05 |
NR-Aromatase | 0.447 |
Antiviral | Yes |
Prediction | 0.825062 |