Chemoinformaics analysis of Farrerol
Molecular Weight | 300.31 | nRot | 1 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 300.1 | nRing | 3 |
Solubility: LogS | -3.571 | nHRing | 1 |
Solubility: LogP | 3.461 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 43.0687 |
nHD | 3 | BPOL | 18.6553 |
QED | 0.753 |
Synth | 3.027 |
Natural Product Likeliness | 1.891 |
NR-PPAR-gamma | 0.915 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.001 |
HIA | 0.005 |
CACO-2 | -4.847 |
MDCK | 0.000012 |
BBB | 0.029 |
PPB | 0.983544 |
VDSS | 0.339 |
FU | 0.0174367 |
CYP1A2-inh | 0.332 |
CYP1A2-sub | 0.724 |
CYP2c19-inh | 0.731 |
CYP2c19-sub | 0.172 |
CYP2c9-inh | 0.844 |
CYP2c9-sub | 0.91 |
CYP2d6-inh | 0.554 |
CYP2d6-sub | 0.356 |
CYP3a4-inh | 0.451 |
CYP3a4-sub | 0.247 |
CL | 12.031 |
T12 | 0.615 |
hERG | 0.078 |
Ames | 0.026 |
ROA | 0.845 |
SkinSen | 0.946 |
Carcinogencity | 0.48 |
EI | 0.912 |
Respiratory | 0.246 |
NR-Aromatase | 0.6 |
Antiviral | Yes |
Prediction | 0.856867 |