Chemoinformaics analysis of Coenzyme Q1
Molecular Weight | 250.294 | nRot | 4 |
Heavy Atom Molecular Weight | 232.15 | nRig | 8 |
Exact Molecular Weight | 250.121 | nRing | 1 |
Solubility: LogS | -3.078 | nHRing | 0 |
Solubility: LogP | 3.318 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | 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 | 4 | APOL | 38.5903 |
nHD | 0 | BPOL | 23.2657 |
QED | 0.637 |
Synth | 2.976 |
Natural Product Likeliness | 1.496 |
NR-PPAR-gamma | 0.875 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.013 |
CACO-2 | -4.806 |
MDCK | 0.0000196 |
BBB | 0.059 |
PPB | 0.978864 |
VDSS | 0.608 |
FU | 0.0417831 |
CYP1A2-inh | 0.826 |
CYP1A2-sub | 0.921 |
CYP2c19-inh | 0.057 |
CYP2c19-sub | 0.866 |
CYP2c9-inh | 0.049 |
CYP2c9-sub | 0.792 |
CYP2d6-inh | 0.035 |
CYP2d6-sub | 0.849 |
CYP3a4-inh | 0.076 |
CYP3a4-sub | 0.517 |
CL | 8.978 |
T12 | 0.825 |
hERG | 0.029 |
Ames | 0.109 |
ROA | 0.782 |
SkinSen | 0.954 |
Carcinogencity | 0.35 |
EI | 0.932 |
Respiratory | 0.74 |
NR-Aromatase | 0.864 |
Antiviral | Yes |
Prediction | 0.756805 |