Chemoinformaics analysis of  Matricarianol
Molecular Weight | 146.189 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 4 |
Exact Molecular Weight | 146.073 | nRing | 0 |
Solubility: LogS | -2.101 | nHRing | 0 |
Solubility: LogP | 2.245 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 24.1699 |
nHD | 1 | BPOL | 10.0321 |
QED | 0.549 |
Synth | 4.143 |
Natural Product Likeliness | 3.228 |
NR-PPAR-gamma | 0.175 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.018 |
CACO-2 | -4.003 |
MDCK | 0.0000412 |
BBB | 0.021 |
PPB | 0.989091 |
VDSS | 0.926 |
FU | 0.0225571 |
CYP1A2-inh | 0.93 |
CYP1A2-sub | 0.148 |
CYP2c19-inh | 0.96 |
CYP2c19-sub | 0.668 |
CYP2c9-inh | 0.93 |
CYP2c9-sub | 0.776 |
CYP2d6-inh | 0.869 |
CYP2d6-sub | 0.215 |
CYP3a4-inh | 0.89 |
CYP3a4-sub | 0.298 |
CL | 8.483 |
T12 | 0.769 |
hERG | 0.004 |
Ames | 0.918 |
ROA | 0.891 |
SkinSen | 0.981 |
Carcinogencity | 0.855 |
EI | 0.994 |
Respiratory | 0.952 |
NR-Aromatase | 0.882 |
Antiviral | No |
Prediction | 0.911283 |