Chemoinformaics analysis of 5-Methylcytosine
Molecular Weight | 125.131 | nRot | 0 |
Heavy Atom Molecular Weight | 118.075 | nRig | 8 |
Exact Molecular Weight | 125.059 | nRing | 1 |
Solubility: LogS | -1.691 | nHRing | 1 |
Solubility: LogP | -1.317 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 17.1196 |
nHD | 2 | BPOL | 9.03045 |
QED | 0.429 |
Synth | 3.485 |
Natural Product Likeliness | -0.146 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.787 |
HIA | 0.918 |
CACO-2 | -5.151 |
MDCK | 0.000109166 |
BBB | 0.235 |
PPB | 0.0845369 |
VDSS | 0.766 |
FU | 0.80987 |
CYP1A2-inh | 0.053 |
CYP1A2-sub | 0.96 |
CYP2c19-inh | 0.129 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.018 |
CYP2c9-sub | 0.059 |
CYP2d6-inh | 0.078 |
CYP2d6-sub | 0.061 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.184 |
CL | 7.092 |
T12 | 0.932 |
hERG | 0.049 |
Ames | 0.041 |
ROA | 0.602 |
SkinSen | 0.38 |
Carcinogencity | 0.201 |
EI | 0.818 |
Respiratory | 0.211 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.899786 |