Chemoinformaics analysis of PYRETHRIC ACID
Molecular Weight | 212.245 | nRot | 3 |
Heavy Atom Molecular Weight | 196.117 | nRig | 6 |
Exact Molecular Weight | 212.105 | nRing | 1 |
Solubility: LogS | -2.386 | nHRing | 0 |
Solubility: LogP | 2.274 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 32.2467 |
nHD | 1 | BPOL | 19.5233 |
QED | 0.568 |
Synth | 3.439 |
Natural Product Likeliness | 1.897 |
NR-PPAR-gamma | 0.014 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.01 |
CACO-2 | -5.003 |
MDCK | 0.000083 |
BBB | 0.986 |
PPB | 0.570117 |
VDSS | 0.316 |
FU | 0.474805 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.385 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.478 |
CYP2c9-inh | 0.049 |
CYP2c9-sub | 0.729 |
CYP2d6-inh | 0.021 |
CYP2d6-sub | 0.229 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.101 |
CL | 9.046 |
T12 | 0.697 |
hERG | 0.005 |
Ames | 0.01 |
ROA | 0.082 |
SkinSen | 0.474 |
Carcinogencity | 0.12 |
EI | 0.591 |
Respiratory | 0.736 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.591291 |