Chemoinformaics analysis of taxifoliol
Molecular Weight | 304.254 | nRot | 1 |
Heavy Atom Molecular Weight | 292.158 | nRig | 18 |
Exact Molecular Weight | 304.058 | nRing | 3 |
Solubility: LogS | -2.662 | nHRing | 1 |
Solubility: LogP | 0.449 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 38.6655 |
nHD | 5 | BPOL | 14.6425 |
QED | 0.501 |
Synth | 3.546 |
Natural Product Likeliness | 1.645 |
NR-PPAR-gamma | 0.431 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.016 |
HIA | 0.014 |
CACO-2 | -6.055 |
MDCK | 0.000004 |
BBB | 0.031 |
PPB | 0.854428 |
VDSS | 0.681 |
FU | 0.159097 |
CYP1A2-inh | 0.044 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0.342 |
CYP2c9-sub | 0.868 |
CYP2d6-inh | 0.11 |
CYP2d6-sub | 0.264 |
CYP3a4-inh | 0.14 |
CYP3a4-sub | 0.249 |
CL | 9.517 |
T12 | 0.85 |
hERG | 0.07 |
Ames | 0.544 |
ROA | 0.24 |
SkinSen | 0.932 |
Carcinogencity | 0.039 |
EI | 0.911 |
Respiratory | 0.296 |
NR-Aromatase | 0.58 |
Antiviral | Yes |
Prediction | 0.873036 |