Chemoinformaics analysis of OLEORESIN TUMERIC
Molecular Weight | 1015.08 | nRot | 21 |
Heavy Atom Molecular Weight | 960.645 | nRig | 16 |
Exact Molecular Weight | 1014.35 | nRing | 6 |
Solubility: LogS | -3.921 | nHRing | 0 |
Solubility: LogP | 2.742 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 6 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 129 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 75 | No. of Aromatic Carbocycles | 6 |
nHetero | 15 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 54 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 60 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 36 |
No. of Oxygen atom | 15 | No. of Arom Bond | 36 |
nHA | 15 | APOL | 148.237 |
nHD | 6 | BPOL | 64.5892 |
QED | 0.548 |
Synth | 2.426 |
Natural Product Likeliness | 0.722 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.284 |
Pgp-sub | 0.014 |
HIA | 0.06 |
CACO-2 | -4.834 |
MDCK | 0.0000163 |
BBB | 0.103 |
PPB | 0.997995 |
VDSS | 0.369 |
FU | 0.0104929 |
CYP1A2-inh | 0.593 |
CYP1A2-sub | 0.758 |
CYP2c19-inh | 0.287 |
CYP2c19-sub | 0.12 |
CYP2c9-inh | 0.661 |
CYP2c9-sub | 0.906 |
CYP2d6-inh | 0.037 |
CYP2d6-sub | 0.895 |
CYP3a4-inh | 0.674 |
CYP3a4-sub | 0.517 |
CL | 13.839 |
T12 | 0.948 |
hERG | 0.214 |
Ames | 0.234 |
ROA | 0.896 |
SkinSen | 0.958 |
Carcinogencity | 0.706 |
EI | 0.792 |
Respiratory | 0.951 |
NR-Aromatase | 0.619 |
Antiviral | Yes |
Prediction | 0.566093 |