Chemoinformaics analysis of 5-Carboxy-2?-deoxyuridine
Molecular Weight | 352.192 | nRot | 5 |
Heavy Atom Molecular Weight | 339.088 | nRig | 16 |
Exact Molecular Weight | 352.031 | nRing | 2 |
Solubility: LogS | -0.824 | nHRing | 2 |
Solubility: LogP | -2.01 | No. of Aliphatic Rings | 1 |
Acid Count | 3 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 10 | No. of Arom Bond | 6 |
nHA | 8 | APOL | 39.2183 |
nHD | 5 | BPOL | 30.1057 |
QED | 0.439 |
Synth | 4.535 |
Natural Product Likeliness | 0.417 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.034 |
HIA | 0.989 |
CACO-2 | -6.233 |
MDCK | 0.000142439 |
BBB | 0.306 |
PPB | 0.113944 |
VDSS | 0.209 |
FU | 0.780179 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.051 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.026 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.181 |
CYP2d6-inh | 0.031 |
CYP2d6-sub | 0.053 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.004 |
CL | 1.986 |
T12 | 0.904 |
hERG | 0.012 |
Ames | 0.021 |
ROA | 0.002 |
SkinSen | 0.136 |
Carcinogencity | 0.02 |
EI | 0.014 |
Respiratory | 0.057 |
NR-Aromatase | 0 |
Antiviral | No |
Prediction | 0.549349 |