Chemoinformaics analysis of  Matteuorienate-A
Molecular Weight | 620.604 | nRot | 10 |
Heavy Atom Molecular Weight | 584.316 | nRig | 26 |
Exact Molecular Weight | 620.211 | nRing | 4 |
Solubility: LogS | -3.482 | nHRing | 2 |
Solubility: LogP | 1.737 | No. of Aliphatic Rings | 2 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 80 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 44 | No. of Aromatic Carbocycles | 2 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 36 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 30 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 14 | No. of Arom Bond | 12 |
nHA | 13 | APOL | 85.3326 |
nHD | 6 | BPOL | 47.3995 |
QED | 0.205 |
Synth | 4.607 |
Natural Product Likeliness | 1.917 |
NR-PPAR-gamma | 0.943 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.019 |
Pgp-sub | 0.993 |
HIA | 0.704 |
CACO-2 | -6.241 |
MDCK | 0.00000873 |
BBB | 0.037 |
PPB | 0.857161 |
VDSS | 0.263 |
FU | 0.0635655 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.087 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.365 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.861 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.16 |
CYP3a4-inh | 0.038 |
CYP3a4-sub | 0.124 |
CL | 4.642 |
T12 | 0.469 |
hERG | 0.019 |
Ames | 0.145 |
ROA | 0.471 |
SkinSen | 0.038 |
Carcinogencity | 0.334 |
EI | 0.006 |
Respiratory | 0.011 |
NR-Aromatase | 0.159 |
Antiviral | Yes |
Prediction | 0.840212 |