Chemoinformaics analysis of ADENYLIC ACID
Molecular Weight | 347.224 | nRot | 4 |
Heavy Atom Molecular Weight | 333.112 | nRig | 18 |
Exact Molecular Weight | 347.063 | nRing | 3 |
Solubility: LogS | -1.411 | nHRing | 3 |
Solubility: LogP | -3.01 | No. of Aliphatic Rings | 1 |
Acid Count | 2 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | 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 | 7 | No. of Arom Bond | 10 |
nHA | 10 | APOL | 40.7791 |
nHD | 5 | BPOL | 30.7849 |
QED | 0.396 |
Synth | 5.141 |
Natural Product Likeliness | 0.877 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.924 |
HIA | 0.98 |
CACO-2 | -6.238 |
MDCK | 0.0000108 |
BBB | 0.755 |
PPB | 0.120417 |
VDSS | 0.693 |
FU | 0.816995 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.35 |
CYP2c19-inh | 0.068 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.661 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.065 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.011 |
CL | 1.551 |
T12 | 0.915 |
hERG | 0.016 |
Ames | 0.074 |
ROA | 0.279 |
SkinSen | 0.199 |
Carcinogencity | 0.351 |
EI | 0.012 |
Respiratory | 0.89 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.599125 |