Chemoinformaics analysis of Ovalifolin
Molecular Weight | 346.382 | nRot | 4 |
Heavy Atom Molecular Weight | 328.238 | nRig | 23 |
Exact Molecular Weight | 346.121 | nRing | 4 |
Solubility: LogS | -6.308 | nHRing | 2 |
Solubility: LogP | 5.831 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 4 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | 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 | 19 |
No. of Oxygen atom | 4 | No. of Arom Bond | 21 |
nHA | 4 | APOL | 51.9503 |
nHD | 0 | BPOL | 24.1337 |
QED | 0.455 |
Synth | 2.647 |
Natural Product Likeliness | 1.212 |
NR-PPAR-gamma | 0.306 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.99 |
Pgp-sub | 0.108 |
HIA | 0.007 |
CACO-2 | -4.794 |
MDCK | 0.0000181 |
BBB | 0.006 |
PPB | 0.8614 |
VDSS | 1.216 |
FU | 0.0964245 |
CYP1A2-inh | 0.953 |
CYP1A2-sub | 0.145 |
CYP2c19-inh | 0.906 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.863 |
CYP2c9-sub | 0.846 |
CYP2d6-inh | 0.204 |
CYP2d6-sub | 0.499 |
CYP3a4-inh | 0.484 |
CYP3a4-sub | 0.122 |
CL | 7.827 |
T12 | 0.121 |
hERG | 0.022 |
Ames | 0.388 |
ROA | 0.46 |
SkinSen | 0.093 |
Carcinogencity | 0.56 |
EI | 0.142 |
Respiratory | 0.924 |
NR-Aromatase | 0.906 |
Antiviral | No |
Prediction | 0.54045 |