Chemoinformaics analysis of PIPERMETHYSTINE
Molecular Weight | 287.315 | nRot | 4 |
Heavy Atom Molecular Weight | 270.179 | nRig | 15 |
Exact Molecular Weight | 287.116 | nRing | 2 |
Solubility: LogS | -1.888 | nHRing | 1 |
Solubility: LogP | 1.648 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 42.3635 |
nHD | 0 | BPOL | 23.1045 |
QED | 0.792 |
Synth | 2.558 |
Natural Product Likeliness | 0.243 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.894 |
Pgp-sub | 0.002 |
HIA | 0.11 |
CACO-2 | -4.727 |
MDCK | 0.0000473 |
BBB | 0.999 |
PPB | 0.389506 |
VDSS | 0.288 |
FU | 0.692624 |
CYP1A2-inh | 0.199 |
CYP1A2-sub | 0.088 |
CYP2c19-inh | 0.592 |
CYP2c19-sub | 0.142 |
CYP2c9-inh | 0.345 |
CYP2c9-sub | 0.37 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.149 |
CYP3a4-inh | 0.173 |
CYP3a4-sub | 0.391 |
CL | 5.85 |
T12 | 0.742 |
hERG | 0.01 |
Ames | 0.019 |
ROA | 0.02 |
SkinSen | 0.966 |
Carcinogencity | 0.244 |
EI | 0.101 |
Respiratory | 0.029 |
NR-Aromatase | 0.013 |
Antiviral | Yes |
Prediction | 0.823327 |