Chemoinformaics analysis of ORTHOFERULIC-ACID
Molecular Weight | 132.071 | nRot | 3 |
Heavy Atom Molecular Weight | 128.039 | nRig | 3 |
Exact Molecular Weight | 132.006 | nRing | 0 |
Solubility: LogS | -0.048 | nHRing | 0 |
Solubility: LogP | -1.021 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 13 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 4 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 13.3572 |
nHD | 2 | BPOL | 6.61683 |
QED | 0.384 |
Synth | 2.298 |
Natural Product Likeliness | 1.088 |
NR-PPAR-gamma | 0.356 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.162 |
CACO-2 | -5.899 |
MDCK | 0.00136346 |
BBB | 0.113 |
PPB | 0.270013 |
VDSS | 0.304 |
FU | 0.592558 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.035 |
CYP2c19-inh | 0.036 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.037 |
CYP2c9-sub | 0.816 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.116 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.014 |
CL | 3.297 |
T12 | 0.91 |
hERG | 0.027 |
Ames | 0.033 |
ROA | 0.017 |
SkinSen | 0.773 |
Carcinogencity | 0.021 |
EI | 0.99 |
Respiratory | 0.786 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.957667 |