Chemoinformaics analysis of HELIPYRONE
Molecular Weight | 320.341 | nRot | 4 |
Heavy Atom Molecular Weight | 300.181 | nRig | 14 |
Exact Molecular Weight | 320.126 | nRing | 2 |
Solubility: LogS | -2.383 | nHRing | 2 |
Solubility: LogP | 2.278 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 46.5379 |
nHD | 2 | BPOL | 25.2721 |
QED | 0.896 |
Synth | 3.092 |
Natural Product Likeliness | 0.804 |
NR-PPAR-gamma | 0.927 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.074 |
Pgp-sub | 0.576 |
HIA | 0.032 |
CACO-2 | -4.755 |
MDCK | 0.0000255 |
BBB | 0.015 |
PPB | 0.979345 |
VDSS | 0.322 |
FU | 0.015961 |
CYP1A2-inh | 0.633 |
CYP1A2-sub | 0.966 |
CYP2c19-inh | 0.24 |
CYP2c19-sub | 0.372 |
CYP2c9-inh | 0.754 |
CYP2c9-sub | 0.901 |
CYP2d6-inh | 0.147 |
CYP2d6-sub | 0.299 |
CYP3a4-inh | 0.256 |
CYP3a4-sub | 0.183 |
CL | 1.284 |
T12 | 0.557 |
hERG | 0.002 |
Ames | 0.018 |
ROA | 0.126 |
SkinSen | 0.684 |
Carcinogencity | 0.133 |
EI | 0.018 |
Respiratory | 0.064 |
NR-Aromatase | 0.836 |
Antiviral | Yes |
Prediction | 0.798763 |