Chemoinformaics analysis of GLUCOSAN
Molecular Weight | 162.141 | nRot | 0 |
Heavy Atom Molecular Weight | 152.061 | nRig | 9 |
Exact Molecular Weight | 162.053 | nRing | 2 |
Solubility: LogS | -0.153 | nHRing | 2 |
Solubility: LogP | -1.943 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 6 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 20.6979 |
nHD | 3 | BPOL | 13.5041 |
QED | 0.377 |
Synth | 4.742 |
Natural Product Likeliness | 2.342 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.019 |
HIA | 0.83 |
CACO-2 | -5.274 |
MDCK | 0.000614571 |
BBB | 0.499 |
PPB | 0.112662 |
VDSS | 0.658 |
FU | 0.856923 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.084 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.442 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.269 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.21 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.028 |
CL | 1.577 |
T12 | 0.531 |
hERG | 0.019 |
Ames | 0.676 |
ROA | 0.821 |
SkinSen | 0.078 |
Carcinogencity | 0.215 |
EI | 0.139 |
Respiratory | 0.123 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.916863 |