Chemoinformaics analysis of Oxyhydrostinine
Molecular Weight | 205.213 | nRot | 0 |
Heavy Atom Molecular Weight | 194.125 | nRig | 16 |
Exact Molecular Weight | 205.074 | nRing | 3 |
Solubility: LogS | -1.67 | nHRing | 2 |
Solubility: LogP | 1.122 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 29.2107 |
nHD | 1 | BPOL | 15.9453 |
QED | 0.688 |
Synth | 3.215 |
Natural Product Likeliness | 0.961 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.071 |
HIA | 0.002 |
CACO-2 | -4.583 |
MDCK | 0.0000179 |
BBB | 0.28 |
PPB | 0.444986 |
VDSS | 2.65 |
FU | 0.573824 |
CYP1A2-inh | 0.948 |
CYP1A2-sub | 0.298 |
CYP2c19-inh | 0.235 |
CYP2c19-sub | 0.643 |
CYP2c9-inh | 0.016 |
CYP2c9-sub | 0.173 |
CYP2d6-inh | 0.96 |
CYP2d6-sub | 0.856 |
CYP3a4-inh | 0.426 |
CYP3a4-sub | 0.239 |
CL | 10.339 |
T12 | 0.501 |
hERG | 0.036 |
Ames | 0.169 |
ROA | 0.487 |
SkinSen | 0.094 |
Carcinogencity | 0.631 |
EI | 0.012 |
Respiratory | 0.527 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.668539 |