Chemoinformaics analysis of GANODERIC-ACID-R
Molecular Weight | 554.768 | nRot | 7 |
Heavy Atom Molecular Weight | 504.368 | nRig | 24 |
Exact Molecular Weight | 554.361 | nRing | 4 |
Solubility: LogS | -4.86 | nHRing | 0 |
Solubility: LogP | 5.43 | No. of Aliphatic Rings | 4 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 90 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 40 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 34 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 94.9316 |
nHD | 1 | BPOL | 56.2364 |
QED | 0.263 |
Synth | 5.259 |
Natural Product Likeliness | 2.987 |
NR-PPAR-gamma | 0.901 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.658 |
Pgp-sub | 0.001 |
HIA | 0.072 |
CACO-2 | -4.928 |
MDCK | 0.0000107 |
BBB | 0.137 |
PPB | 0.99349 |
VDSS | 1.13 |
FU | 0.0276004 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.11 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.898 |
CYP2c9-inh | 0.123 |
CYP2c9-sub | 0.47 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.179 |
CYP3a4-inh | 0.219 |
CYP3a4-sub | 0.516 |
CL | 1.259 |
T12 | 0.088 |
hERG | 0.026 |
Ames | 0.004 |
ROA | 0.039 |
SkinSen | 0.071 |
Carcinogencity | 0.128 |
EI | 0.008 |
Respiratory | 0.945 |
NR-Aromatase | 0.35 |
Antiviral | Yes |
Prediction | 0.626351 |