Chemoinformaics analysis of Panaxynol-Linoleate
Molecular Weight | 506.815 | nRot | 23 |
Heavy Atom Molecular Weight | 452.383 | nRig | 7 |
Exact Molecular Weight | 506.412 | nRing | 0 |
Solubility: LogS | -7.657 | nHRing | 0 |
Solubility: LogP | 11.101 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 91 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 37 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 54 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 35 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 96.0608 |
nHD | 0 | BPOL | 56.7772 |
QED | 0.06 |
Synth | 3.888 |
Natural Product Likeliness | 1.534 |
NR-PPAR-gamma | 0.388 |
Lipinski | Rejected |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.008 |
CACO-2 | -4.489 |
MDCK | 0.0000154 |
BBB | 0.005 |
PPB | 1.08157 |
VDSS | 3.436 |
FU | 0.0039535 |
CYP1A2-inh | 0.132 |
CYP1A2-sub | 0.146 |
CYP2c19-inh | 0.705 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.383 |
CYP2c9-sub | 0.998 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.13 |
CYP3a4-inh | 0.468 |
CYP3a4-sub | 0.038 |
CL | 4.494 |
T12 | 0.011 |
hERG | 0 |
Ames | 0.771 |
ROA | 0.135 |
SkinSen | 0.968 |
Carcinogencity | 0.493 |
EI | 0.907 |
Respiratory | 0.739 |
NR-Aromatase | 0.891 |
Antiviral | Yes |
Prediction | 0.63547 |