Chemoinformaics analysis of HOMOSTACHYDRINE
Molecular Weight | 157.213 | nRot | 1 |
Heavy Atom Molecular Weight | 142.093 | nRig | 7 |
Exact Molecular Weight | 157.11 | nRing | 1 |
Solubility: LogS | -0.079 | nHRing | 1 |
Solubility: LogP | -2.548 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 8 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 26.0659 |
nHD | 0 | BPOL | 19.0641 |
QED | 0.475 |
Synth | 4.238 |
Natural Product Likeliness | 1.088 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.253 |
HIA | 0.961 |
CACO-2 | -5.538 |
MDCK | 0.0000764 |
BBB | 0.272 |
PPB | 0.109834 |
VDSS | 0.775 |
FU | 0.900158 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.605 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.47 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.424 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.02 |
CL | 2.603 |
T12 | 0.916 |
hERG | 0.005 |
Ames | 0.004 |
ROA | 0.044 |
SkinSen | 0.087 |
Carcinogencity | 0.021 |
EI | 0.371 |
Respiratory | 0.368 |
NR-Aromatase | 0.002 |
Antiviral | No |
Prediction | 0.919845 |