Chemoinformaics analysis of GUANYLIC ACID
Molecular Weight | 363.223 | nRot | 4 |
Heavy Atom Molecular Weight | 349.111 | nRig | 19 |
Exact Molecular Weight | 363.058 | nRing | 3 |
Solubility: LogS | -1.72 | nHRing | 3 |
Solubility: LogP | -3.184 | No. of Aliphatic Rings | 1 |
Acid Count | 2 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 8 | No. of Arom Bond | 10 |
nHA | 10 | APOL | 41.5811 |
nHD | 6 | BPOL | 31.0829 |
QED | 0.315 |
Synth | 5.065 |
Natural Product Likeliness | 0.839 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.902 |
HIA | 0.89 |
CACO-2 | -6.556 |
MDCK | 0.0000855 |
BBB | 0.899 |
PPB | 0.130341 |
VDSS | 0.394 |
FU | 0.782973 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.392 |
CYP2c19-inh | 0.039 |
CYP2c19-sub | 0.03 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.017 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.023 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.01 |
CL | 1.727 |
T12 | 0.942 |
hERG | 0.021 |
Ames | 0.114 |
ROA | 0.32 |
SkinSen | 0.116 |
Carcinogencity | 0.668 |
EI | 0.012 |
Respiratory | 0.92 |
NR-Aromatase | 0.001 |
Antiviral | No |
Prediction | 0.707094 |