Chemoinformaics analysis of Oxoglaucine
Molecular Weight | 351.358 | nRot | 4 |
Heavy Atom Molecular Weight | 334.222 | nRig | 21 |
Exact Molecular Weight | 351.111 | nRing | 4 |
Solubility: LogS | -5.487 | nHRing | 1 |
Solubility: LogP | 3.13 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 49.8455 |
nHD | 0 | BPOL | 26.0065 |
QED | 0.561 |
Synth | 2.468 |
Natural Product Likeliness | 0.926 |
NR-PPAR-gamma | 0.189 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.612 |
Pgp-sub | 0.002 |
HIA | 0.004 |
CACO-2 | -4.85 |
MDCK | 0.0000364 |
BBB | 0.102 |
PPB | 0.792088 |
VDSS | 0.879 |
FU | 0.121686 |
CYP1A2-inh | 0.42 |
CYP1A2-sub | 0.98 |
CYP2c19-inh | 0.397 |
CYP2c19-sub | 0.85 |
CYP2c9-inh | 0.46 |
CYP2c9-sub | 0.892 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.896 |
CYP3a4-inh | 0.592 |
CYP3a4-sub | 0.688 |
CL | 6.99 |
T12 | 0.418 |
hERG | 0.057 |
Ames | 0.605 |
ROA | 0.307 |
SkinSen | 0.032 |
Carcinogencity | 0.092 |
EI | 0.032 |
Respiratory | 0.884 |
NR-Aromatase | 0.835 |
Antiviral | Yes |
Prediction | 0.709093 |