Chemoinformaics analysis of Fungisterol
Molecular Weight | 400.691 | nRot | 5 |
Heavy Atom Molecular Weight | 352.307 | nRig | 7 |
Exact Molecular Weight | 400.371 | nRing | 4 |
Solubility: LogS | -0.215 | nHRing | 0 |
Solubility: LogP | -1.116 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 77 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 48 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 28 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 79.5681 |
nHD | 1 | BPOL | 48.1539 |
QED | 0.485 |
Synth | 4.279 |
Natural Product Likeliness | 1.633 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.033 |
HIA | 0.866 |
CACO-2 | -5.286 |
MDCK | 0.000725603 |
BBB | 0.362 |
PPB | 0.137739 |
VDSS | 0.43 |
FU | 0.782777 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.845 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.67 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.186 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.084 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.043 |
CL | 2.038 |
T12 | 0.768 |
hERG | 0.007 |
Ames | 0.61 |
ROA | 0.806 |
SkinSen | 0.055 |
Carcinogencity | 0.343 |
EI | 0.019 |
Respiratory | 0.968 |
NR-Aromatase | 0.01 |
Antiviral | No |
Prediction | 0.695432 |