Chemoinformaics analysis of PHELLOGENIC ACID
Molecular Weight | 370.574 | nRot | 21 |
Heavy Atom Molecular Weight | 328.238 | nRig | 2 |
Exact Molecular Weight | 370.308 | nRing | 0 |
Solubility: LogS | -3.624 | nHRing | 0 |
Solubility: LogP | 7.647 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 68 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 42 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 67.9533 |
nHD | 2 | BPOL | 43.8707 |
QED | 0.214 |
Synth | 1.481 |
Natural Product Likeliness | 0.216 |
NR-PPAR-gamma | 0.982 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.019 |
CACO-2 | -5.416 |
MDCK | 0.0000293 |
BBB | 0.002 |
PPB | 0.989296 |
VDSS | 0.661 |
FU | 0.00438518 |
CYP1A2-inh | 0.091 |
CYP1A2-sub | 0.141 |
CYP2c19-inh | 0.039 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.099 |
CYP2c9-sub | 0.997 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.035 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.004 |
CL | 1.669 |
T12 | 0.682 |
hERG | 0.026 |
Ames | 0.004 |
ROA | 0.008 |
SkinSen | 0.913 |
Carcinogencity | 0.081 |
EI | 0.959 |
Respiratory | 0.801 |
NR-Aromatase | 0.101 |
Antiviral | Yes |
Prediction | 0.534697 |