Chemoinformaics analysis of GUANINE
Molecular Weight | 151.129 | nRot | 0 |
Heavy Atom Molecular Weight | 146.089 | nRig | 12 |
Exact Molecular Weight | 151.049 | nRing | 2 |
Solubility: LogS | -2.705 | nHRing | 2 |
Solubility: LogP | -1.823 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 4 | APOL | 17.986 |
nHD | 3 | BPOL | 8.73403 |
QED | 0.39 |
Synth | 3.5 |
Natural Product Likeliness | -0.134 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.98 |
HIA | 0.047 |
CACO-2 | -5.687 |
MDCK | 0.00000924 |
BBB | 0.184 |
PPB | 0.14057 |
VDSS | 0.665 |
FU | 0.709911 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.965 |
CYP2c19-inh | 0.139 |
CYP2c19-sub | 0.035 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.006 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.016 |
CYP3a4-inh | 0.018 |
CYP3a4-sub | 0.175 |
CL | 5.999 |
T12 | 0.938 |
hERG | 0.039 |
Ames | 0.42 |
ROA | 0.995 |
SkinSen | 0.816 |
Carcinogencity | 0.504 |
EI | 0.874 |
Respiratory | 0.984 |
NR-Aromatase | 0.022 |
Antiviral | Yes |
Prediction | 0.806349 |