Chemoinformaics analysis of L-Fucose
Molecular Weight | 164.157 | nRot | 0 |
Heavy Atom Molecular Weight | 152.061 | nRig | 6 |
Exact Molecular Weight | 164.068 | nRing | 1 |
Solubility: LogS | 0.308 | nHRing | 1 |
Solubility: LogP | -1.654 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 6 | 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 | 22.0315 |
nHD | 4 | BPOL | 13.7745 |
QED | 0.326 |
Synth | 3.717 |
Natural Product Likeliness | 2.617 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.08 |
HIA | 0.817 |
CACO-2 | -5.249 |
MDCK | 0.000301943 |
BBB | 0.304 |
PPB | 0.114288 |
VDSS | 0.488 |
FU | 0.822044 |
CYP1A2-inh | 0.024 |
CYP1A2-sub | 0.11 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.597 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.23 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.16 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.027 |
CL | 2.063 |
T12 | 0.81 |
hERG | 0.042 |
Ames | 0.262 |
ROA | 0.182 |
SkinSen | 0.289 |
Carcinogencity | 0.032 |
EI | 0.864 |
Respiratory | 0.135 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.890704 |