Chemoinformaics analysis of 2?-Deoxycytidine
Molecular Weight | 307.199 | nRot | 4 |
Heavy Atom Molecular Weight | 293.087 | nRig | 15 |
Exact Molecular Weight | 307.057 | nRing | 2 |
Solubility: LogS | -0.556 | nHRing | 2 |
Solubility: LogP | -3.032 | No. of Aliphatic Rings | 1 |
Acid Count | 2 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 9 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 8 | APOL | 36.9091 |
nHD | 4 | BPOL | 29.3729 |
QED | 0.498 |
Synth | 5.161 |
Natural Product Likeliness | 0.778 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.02 |
HIA | 0.966 |
CACO-2 | -6.194 |
MDCK | 0.00127405 |
BBB | 0.82 |
PPB | 0.0778748 |
VDSS | 0.471 |
FU | 0.848494 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.214 |
CYP2c19-inh | 0.105 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.539 |
CYP2d6-inh | 0.028 |
CYP2d6-sub | 0.144 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.02 |
CL | 1.681 |
T12 | 0.863 |
hERG | 0.018 |
Ames | 0.017 |
ROA | 0.004 |
SkinSen | 0.244 |
Carcinogencity | 0.081 |
EI | 0.019 |
Respiratory | 0.139 |
NR-Aromatase | 0.001 |
Antiviral | No |
Prediction | 0.849264 |