Chemoinformaics analysis of 3-O-METHYL-L-RHAMNOSE
Molecular Weight | 178.184 | nRot | 1 |
Heavy Atom Molecular Weight | 164.072 | nRig | 6 |
Exact Molecular Weight | 178.084 | nRing | 1 |
Solubility: LogS | 0.242 | nHRing | 1 |
Solubility: LogP | -1.591 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 7 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 25.0351 |
nHD | 3 | BPOL | 17.5169 |
QED | 0.453 |
Synth | 3.866 |
Natural Product Likeliness | 2.795 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.164 |
HIA | 0.792 |
CACO-2 | -5.151 |
MDCK | 0.000430456 |
BBB | 0.43 |
PPB | 0.104987 |
VDSS | 0.867 |
FU | 0.842165 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.188 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.729 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.15 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.227 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.058 |
CL | 2.02 |
T12 | 0.554 |
hERG | 0.023 |
Ames | 0.372 |
ROA | 0.314 |
SkinSen | 0.065 |
Carcinogencity | 0.026 |
EI | 0.019 |
Respiratory | 0.049 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.921716 |