Chemoinformaics analysis of GANODERIC-ACID-F
Molecular Weight | 572.695 | nRot | 7 |
Heavy Atom Molecular Weight | 528.343 | nRig | 26 |
Exact Molecular Weight | 572.299 | nRing | 4 |
Solubility: LogS | -4.507 | nHRing | 0 |
Solubility: LogP | 2.657 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 85 | 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 | 44 | 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 | 89.9969 |
nHD | 2 | BPOL | 51.0851 |
QED | 0.433 |
Synth | 5.297 |
Natural Product Likeliness | 3.008 |
NR-PPAR-gamma | 0.869 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.884 |
Pgp-sub | 0.03 |
HIA | 0.124 |
CACO-2 | -5.332 |
MDCK | 0.0000267 |
BBB | 0.965 |
PPB | 0.772679 |
VDSS | 0.279 |
FU | 0.192609 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.175 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.832 |
CYP2c9-inh | 0.026 |
CYP2c9-sub | 0.483 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.092 |
CYP3a4-inh | 0.035 |
CYP3a4-sub | 0.335 |
CL | 5.957 |
T12 | 0.409 |
hERG | 0 |
Ames | 0.033 |
ROA | 0.314 |
SkinSen | 0.038 |
Carcinogencity | 0.019 |
EI | 0.031 |
Respiratory | 0.877 |
NR-Aromatase | 0.745 |
Antiviral | Yes |
Prediction | 0.823803 |