Chemoinformaics analysis of EPIPROGOITRIN
Molecular Weight | 389.404 | nRot | 7 |
Heavy Atom Molecular Weight | 370.252 | nRig | 10 |
Exact Molecular Weight | 389.045 | nRing | 1 |
Solubility: LogS | 0.038 | nHRing | 1 |
Solubility: LogP | -1.784 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 11 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 11 | APOL | 45.9591 |
nHD | 6 | BPOL | 31.6489 |
QED | 0.089 |
Synth | 4.817 |
Natural Product Likeliness | 1.677 |
NR-PPAR-gamma | 0.005 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.034 |
HIA | 0.988 |
CACO-2 | -5.937 |
MDCK | 0.000108263 |
BBB | 0.321 |
PPB | 0.557996 |
VDSS | 0.356 |
FU | 0.545176 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.028 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.81 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.117 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.002 |
CL | 0.879 |
T12 | 0.562 |
hERG | 0.004 |
Ames | 0.025 |
ROA | 0.162 |
SkinSen | 0.045 |
Carcinogencity | 0.063 |
EI | 0.008 |
Respiratory | 0.55 |
NR-Aromatase | 0.015 |
Antiviral | Yes |
Prediction | 0.865627 |