Chemoinformaics analysis of 10-EPI-OLGUINE
Molecular Weight | 382.365 | nRot | 7 |
Heavy Atom Molecular Weight | 360.189 | nRig | 14 |
Exact Molecular Weight | 382.126 | nRing | 2 |
Solubility: LogS | -2.649 | nHRing | 2 |
Solubility: LogP | 0.939 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 18 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 51.9474 |
nHD | 0 | BPOL | 34.2226 |
QED | 0.27 |
Synth | 4.696 |
Natural Product Likeliness | 2.78 |
NR-PPAR-gamma | 0.478 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.97 |
Pgp-sub | 0.001 |
HIA | 0.98 |
CACO-2 | -5.153 |
MDCK | 0.000118662 |
BBB | 0.793 |
PPB | 0.172292 |
VDSS | 1.154 |
FU | 0.606632 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.026 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.063 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.029 |
CYP2d6-inh | 0.794 |
CYP2d6-sub | 0.11 |
CYP3a4-inh | 0.336 |
CYP3a4-sub | 0.214 |
CL | 2.021 |
T12 | 0.793 |
hERG | 0.01 |
Ames | 0.021 |
ROA | 0.159 |
SkinSen | 0.116 |
Carcinogencity | 0.082 |
EI | 0.012 |
Respiratory | 0.056 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.786152 |