Chemoinformaics analysis of ganoderic acid f
Molecular Weight | 570.679 | nRot | 7 |
Heavy Atom Molecular Weight | 528.343 | nRig | 27 |
Exact Molecular Weight | 570.283 | nRing | 4 |
Solubility: LogS | -4.344 | nHRing | 0 |
Solubility: LogP | 2.534 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 83 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 41 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 42 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 32 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 88.6633 |
nHD | 1 | BPOL | 49.9467 |
QED | 0.447 |
Synth | 5.258 |
Natural Product Likeliness | 2.962 |
NR-PPAR-gamma | 0.031 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.782 |
Pgp-sub | 0.002 |
HIA | 0.021 |
CACO-2 | -5.34 |
MDCK | 0.000023 |
BBB | 0.721 |
PPB | 0.76856 |
VDSS | 0.315 |
FU | 0.185764 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.408 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.841 |
CYP2c9-inh | 0.058 |
CYP2c9-sub | 0.376 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.062 |
CYP3a4-inh | 0.087 |
CYP3a4-sub | 0.567 |
CL | 3.825 |
T12 | 0.86 |
hERG | 0.001 |
Ames | 0.043 |
ROA | 0.113 |
SkinSen | 0.104 |
Carcinogencity | 0.02 |
EI | 0.028 |
Respiratory | 0.667 |
NR-Aromatase | 0.096 |
Antiviral | Yes |
Prediction | 0.827144 |