Chemoinformaics analysis of Artemiseole
Molecular Weight | 152.237 | nRot | 1 |
Heavy Atom Molecular Weight | 136.109 | nRig | 8 |
Exact Molecular Weight | 152.12 | nRing | 2 |
Solubility: LogS | -2.509 | nHRing | 1 |
Solubility: LogP | 2.811 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 28.1707 |
nHD | 0 | BPOL | 17.7873 |
QED | 0.523 |
Synth | 4.56 |
Natural Product Likeliness | 2.671 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0 |
HIA | 0.006 |
CACO-2 | -4.48 |
MDCK | 0.0000314 |
BBB | 0.908 |
PPB | 0.685823 |
VDSS | 1.311 |
FU | 0.2622 |
CYP1A2-inh | 0.127 |
CYP1A2-sub | 0.539 |
CYP2c19-inh | 0.131 |
CYP2c19-sub | 0.911 |
CYP2c9-inh | 0.091 |
CYP2c9-sub | 0.313 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.699 |
CYP3a4-inh | 0.108 |
CYP3a4-sub | 0.373 |
CL | 7.198 |
T12 | 0.204 |
hERG | 0.01 |
Ames | 0.013 |
ROA | 0.45 |
SkinSen | 0.039 |
Carcinogencity | 0.134 |
EI | 0.036 |
Respiratory | 0.907 |
NR-Aromatase | 0.008 |
Antiviral | No |
Prediction | 0.937852 |