Chemoinformaics analysis of PEYOXYLIC ACID
Molecular Weight | 253.254 | nRot | 3 |
Heavy Atom Molecular Weight | 238.134 | nRig | 12 |
Exact Molecular Weight | 253.095 | nRing | 2 |
Solubility: LogS | -1.664 | nHRing | 1 |
Solubility: LogP | -1.483 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 35.1519 |
nHD | 3 | BPOL | 19.9581 |
QED | 0.734 |
Synth | 3.085 |
Natural Product Likeliness | 1.216 |
NR-PPAR-gamma | 0.477 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.099 |
HIA | 0.02 |
CACO-2 | -5.335 |
MDCK | 0.00000626 |
BBB | 0.773 |
PPB | 0.163509 |
VDSS | 1.212 |
FU | 0.702891 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.238 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.58 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.764 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.246 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.12 |
CL | 3.722 |
T12 | 0.852 |
hERG | 0.014 |
Ames | 0.033 |
ROA | 0.099 |
SkinSen | 0.319 |
Carcinogencity | 0.051 |
EI | 0.014 |
Respiratory | 0.809 |
NR-Aromatase | 0.024 |
Antiviral | Yes |
Prediction | 0.613195 |