Chemoinformaics analysis of  Matteuorienate-C
Molecular Weight | 588.562 | nRot | 9 |
Heavy Atom Molecular Weight | 556.306 | nRig | 26 |
Exact Molecular Weight | 588.184 | nRing | 4 |
Solubility: LogS | -3.422 | nHRing | 2 |
Solubility: LogP | 2.227 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 74 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 42 | No. of Aromatic Carbocycles | 2 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 29 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 13 | No. of Arom Bond | 17 |
nHA | 12 | APOL | 80.1934 |
nHD | 6 | BPOL | 41.6506 |
QED | 0.194 |
Synth | 4.409 |
Natural Product Likeliness | 1.825 |
NR-PPAR-gamma | 0.956 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.989 |
HIA | 0.846 |
CACO-2 | -6.252 |
MDCK | 0.0000244 |
BBB | 0.031 |
PPB | 0.794925 |
VDSS | 0.517 |
FU | 0.074318 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.075 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.063 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.528 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.119 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.034 |
CL | 2.336 |
T12 | 0.758 |
hERG | 0.004 |
Ames | 0.29 |
ROA | 0.135 |
SkinSen | 0.041 |
Carcinogencity | 0.114 |
EI | 0.005 |
Respiratory | 0.011 |
NR-Aromatase | 0.627 |
Antiviral | Yes |
Prediction | 0.862386 |