Chemoinformaics analysis of CARBON-DIOXIDE
Molecular Weight | 44.009 | nRot | 0 |
Heavy Atom Molecular Weight | 44.009 | nRig | 2 |
Exact Molecular Weight | 43.9898 | nRing | 0 |
Solubility: LogS | -1.609 | nHRing | 0 |
Solubility: LogP | 0.791 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 3 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 3 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 0 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 3.274 |
nHD | 0 | BPOL | 1.736 |
QED | 0.364 |
Synth | 3.407 |
Natural Product Likeliness | -0.067 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.004 |
HIA | 0.004 |
CACO-2 | -4.277 |
MDCK | 0.000167697 |
BBB | 0.986 |
PPB | 0.19693 |
VDSS | 0.947 |
FU | 0.82458 |
CYP1A2-inh | 0.054 |
CYP1A2-sub | 0.593 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.066 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.538 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.221 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.119 |
CL | 2.197 |
T12 | 0.634 |
hERG | 0.016 |
Ames | 0.815 |
ROA | 0.013 |
SkinSen | 0.921 |
Carcinogencity | 0.023 |
EI | 0.987 |
Respiratory | 0.95 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.932 |