Chemoinformaics analysis of LINDERANE
Molecular Weight | 260.289 | nRot | 0 |
Heavy Atom Molecular Weight | 244.161 | nRig | 20 |
Exact Molecular Weight | 260.105 | nRing | 4 |
Solubility: LogS | -4.487 | nHRing | 3 |
Solubility: LogP | 2.849 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 15 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 4 | No. of Arom Bond | 5 |
nHA | 4 | APOL | 38.9267 |
nHD | 0 | BPOL | 22.1273 |
QED | 0.409 |
Synth | 5.798 |
Natural Product Likeliness | 3.448 |
NR-PPAR-gamma | 0.755 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.017 |
Pgp-sub | 0.031 |
HIA | 0.007 |
CACO-2 | -4.691 |
MDCK | 0.0000269 |
BBB | 0.424 |
PPB | 0.906326 |
VDSS | 1.521 |
FU | 0.0680858 |
CYP1A2-inh | 0.075 |
CYP1A2-sub | 0.653 |
CYP2c19-inh | 0.709 |
CYP2c19-sub | 0.604 |
CYP2c9-inh | 0.177 |
CYP2c9-sub | 0.071 |
CYP2d6-inh | 0.028 |
CYP2d6-sub | 0.722 |
CYP3a4-inh | 0.602 |
CYP3a4-sub | 0.324 |
CL | 13.541 |
T12 | 0.172 |
hERG | 0.02 |
Ames | 0.829 |
ROA | 0.909 |
SkinSen | 0.593 |
Carcinogencity | 0.707 |
EI | 0.043 |
Respiratory | 0.976 |
NR-Aromatase | 0.716 |
Antiviral | Yes |
Prediction | 0.668047 |