Chemoinformaics analysis of  Matricarianol-Acetate
Molecular Weight | 188.226 | nRot | 2 |
Heavy Atom Molecular Weight | 176.13 | nRig | 5 |
Exact Molecular Weight | 188.084 | nRing | 0 |
Solubility: LogS | -2.656 | nHRing | 0 |
Solubility: LogP | 2.882 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | 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 | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 29.6455 |
nHD | 0 | BPOL | 14.6425 |
QED | 0.487 |
Synth | 3.737 |
Natural Product Likeliness | 2.602 |
NR-PPAR-gamma | 0.063 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.01 |
Pgp-sub | 0 |
HIA | 0.069 |
CACO-2 | -4.194 |
MDCK | 0.0000497 |
BBB | 0.013 |
PPB | 0.992606 |
VDSS | 1.213 |
FU | 0.0276257 |
CYP1A2-inh | 0.985 |
CYP1A2-sub | 0.151 |
CYP2c19-inh | 0.96 |
CYP2c19-sub | 0.567 |
CYP2c9-inh | 0.941 |
CYP2c9-sub | 0.545 |
CYP2d6-inh | 0.904 |
CYP2d6-sub | 0.158 |
CYP3a4-inh | 0.893 |
CYP3a4-sub | 0.363 |
CL | 4.928 |
T12 | 0.709 |
hERG | 0.013 |
Ames | 0.945 |
ROA | 0.953 |
SkinSen | 0.978 |
Carcinogencity | 0.846 |
EI | 0.985 |
Respiratory | 0.953 |
NR-Aromatase | 0.823 |
Antiviral | No |
Prediction | 0.65495 |