Chemoinformaics analysis of Furostanol
Molecular Weight | 402.663 | nRot | 4 |
Heavy Atom Molecular Weight | 356.295 | nRig | 24 |
Exact Molecular Weight | 402.35 | nRing | 5 |
Solubility: LogS | -6.801 | nHRing | 1 |
Solubility: LogP | 6.361 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 75 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 46 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 27 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 77.3665 |
nHD | 1 | BPOL | 47.8835 |
QED | 0.585 |
Synth | 4.665 |
Natural Product Likeliness | 2.666 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.363 |
Pgp-sub | 0 |
HIA | 0.006 |
CACO-2 | -4.817 |
MDCK | 0.0000162 |
BBB | 0.719 |
PPB | 0.985613 |
VDSS | 1.474 |
FU | 0.0146053 |
CYP1A2-inh | 0.044 |
CYP1A2-sub | 0.538 |
CYP2c19-inh | 0.072 |
CYP2c19-sub | 0.926 |
CYP2c9-inh | 0.079 |
CYP2c9-sub | 0.199 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.682 |
CYP3a4-inh | 0.125 |
CYP3a4-sub | 0.443 |
CL | 20.031 |
T12 | 0.022 |
hERG | 0.058 |
Ames | 0.066 |
ROA | 0.236 |
SkinSen | 0.937 |
Carcinogencity | 0.019 |
EI | 0.021 |
Respiratory | 0.591 |
NR-Aromatase | 0.289 |
Antiviral | No |
Prediction | 0.675884 |