Chemoinformaics analysis of 5-PENTYLTETRAHYDROFURAN-2-OL
Molecular Weight | 158.241 | nRot | 4 |
Heavy Atom Molecular Weight | 140.097 | nRig | 5 |
Exact Molecular Weight | 158.131 | nRing | 1 |
Solubility: LogS | -1.761 | nHRing | 1 |
Solubility: LogP | 2.231 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 9 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 28.6363 |
nHD | 1 | BPOL | 19.7937 |
QED | 0.635 |
Synth | 3.179 |
Natural Product Likeliness | 1.85 |
NR-PPAR-gamma | 0.16 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.641 |
HIA | 0.004 |
CACO-2 | -4.427 |
MDCK | 0.0000521 |
BBB | 0.688 |
PPB | 0.786541 |
VDSS | 1.773 |
FU | 0.252973 |
CYP1A2-inh | 0.053 |
CYP1A2-sub | 0.696 |
CYP2c19-inh | 0.056 |
CYP2c19-sub | 0.893 |
CYP2c9-inh | 0.034 |
CYP2c9-sub | 0.376 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.314 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.193 |
CL | 13.904 |
T12 | 0.715 |
hERG | 0.04 |
Ames | 0.148 |
ROA | 0.032 |
SkinSen | 0.887 |
Carcinogencity | 0.324 |
EI | 0.982 |
Respiratory | 0.069 |
NR-Aromatase | 0.051 |
Antiviral | No |
Prediction | 0.935674 |