Chemoinformaics analysis of 4-HYDROXY-PIPECOLIC-ACID
Molecular Weight | 145.158 | nRot | 1 |
Heavy Atom Molecular Weight | 134.07 | nRig | 7 |
Exact Molecular Weight | 145.074 | nRing | 1 |
Solubility: LogS | -0.201 | nHRing | 1 |
Solubility: LogP | -2.667 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 6 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 20.8607 |
nHD | 3 | BPOL | 12.4733 |
QED | 0.451 |
Synth | 3.269 |
Natural Product Likeliness | 1.739 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.008 |
HIA | 0.609 |
CACO-2 | -5.989 |
MDCK | 0.000968616 |
BBB | 0.396 |
PPB | 0.109941 |
VDSS | 0.552 |
FU | 0.939281 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.064 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.409 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.183 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.017 |
CL | 5.849 |
T12 | 0.663 |
hERG | 0.017 |
Ames | 0.012 |
ROA | 0.036 |
SkinSen | 0.289 |
Carcinogencity | 0.115 |
EI | 0.577 |
Respiratory | 0.31 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.952995 |