Chemoinformaics analysis of Artocarpanone
Molecular Weight | 302.282 | nRot | 2 |
Heavy Atom Molecular Weight | 288.17 | nRig | 18 |
Exact Molecular Weight | 302.079 | nRing | 3 |
Solubility: LogS | -3.795 | nHRing | 1 |
Solubility: LogP | 2.685 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 40.8671 |
nHD | 3 | BPOL | 18.3849 |
QED | 0.789 |
Synth | 2.951 |
Natural Product Likeliness | 1.815 |
NR-PPAR-gamma | 0.935 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.002 |
HIA | 0.013 |
CACO-2 | -4.862 |
MDCK | 0.00000753 |
BBB | 0.029 |
PPB | 0.967925 |
VDSS | 0.624 |
FU | 0.045835 |
CYP1A2-inh | 0.938 |
CYP1A2-sub | 0.877 |
CYP2c19-inh | 0.816 |
CYP2c19-sub | 0.067 |
CYP2c9-inh | 0.82 |
CYP2c9-sub | 0.948 |
CYP2d6-inh | 0.659 |
CYP2d6-sub | 0.826 |
CYP3a4-inh | 0.771 |
CYP3a4-sub | 0.195 |
CL | 14.839 |
T12 | 0.721 |
hERG | 0.069 |
Ames | 0.206 |
ROA | 0.747 |
SkinSen | 0.927 |
Carcinogencity | 0.357 |
EI | 0.933 |
Respiratory | 0.705 |
NR-Aromatase | 0.086 |
Antiviral | Yes |
Prediction | 0.88603 |