Chemoinformaics analysis of 6-Dimethylaminopurine
Molecular Weight | 163.184 | nRot | 1 |
Heavy Atom Molecular Weight | 154.112 | nRig | 10 |
Exact Molecular Weight | 163.086 | nRing | 2 |
Solubility: LogS | -1.638 | nHRing | 2 |
Solubility: LogP | 0.736 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 0 | No. of Arom Bond | 10 |
nHA | 4 | APOL | 23.1911 |
nHD | 1 | BPOL | 14.7289 |
QED | 0.661 |
Synth | 2.854 |
Natural Product Likeliness | -1.011 |
NR-PPAR-gamma | 0.759 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.527 |
HIA | 0.009 |
CACO-2 | -4.656 |
MDCK | 0.0000135 |
BBB | 0.898 |
PPB | 0.460744 |
VDSS | 1.131 |
FU | 0.630088 |
CYP1A2-inh | 0.382 |
CYP1A2-sub | 0.611 |
CYP2c19-inh | 0.042 |
CYP2c19-sub | 0.116 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.161 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.102 |
CYP3a4-inh | 0.078 |
CYP3a4-sub | 0.37 |
CL | 10.053 |
T12 | 0.752 |
hERG | 0.016 |
Ames | 0.522 |
ROA | 0.884 |
SkinSen | 0.928 |
Carcinogencity | 0.091 |
EI | 0.954 |
Respiratory | 0.957 |
NR-Aromatase | 0.932 |
Antiviral | No |
Prediction | 0.715444 |