Chemoinformaics analysis of Tetrahydrocurcumin
Molecular Weight | 372.417 | nRot | 10 |
Heavy Atom Molecular Weight | 348.225 | nRig | 14 |
Exact Molecular Weight | 372.157 | nRing | 2 |
Solubility: LogS | -2.496 | nHRing | 0 |
Solubility: LogP | 1.899 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | 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 | 55.885 |
nHD | 2 | BPOL | 29.285 |
QED | 0.622 |
Synth | 2.284 |
Natural Product Likeliness | 0.728 |
NR-PPAR-gamma | 0.957 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.8 |
Pgp-sub | 0.831 |
HIA | 0.035 |
CACO-2 | -5.206 |
MDCK | 0.0000212 |
BBB | 0.068 |
PPB | 0.868717 |
VDSS | 0.502 |
FU | 0.0367399 |
CYP1A2-inh | 0.605 |
CYP1A2-sub | 0.945 |
CYP2c19-inh | 0.815 |
CYP2c19-sub | 0.15 |
CYP2c9-inh | 0.861 |
CYP2c9-sub | 0.925 |
CYP2d6-inh | 0.784 |
CYP2d6-sub | 0.925 |
CYP3a4-inh | 0.876 |
CYP3a4-sub | 0.325 |
CL | 15.066 |
T12 | 0.96 |
hERG | 0.098 |
Ames | 0.508 |
ROA | 0.069 |
SkinSen | 0.753 |
Carcinogencity | 0.035 |
EI | 0.886 |
Respiratory | 0.615 |
NR-Aromatase | 0.049 |
Antiviral | No |
Prediction | 0.768941 |