Chemoinformaics analysis of kinetin
Molecular Weight | 215.216 | nRot | 3 |
Heavy Atom Molecular Weight | 206.144 | nRig | 16 |
Exact Molecular Weight | 215.081 | nRing | 3 |
Solubility: LogS | -2.424 | nHRing | 3 |
Solubility: LogP | 0.891 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 3 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 14 |
No. of Oxygen atom | 1 | No. of Arom Bond | 15 |
nHA | 5 | APOL | 29.0031 |
nHD | 2 | BPOL | 15.3249 |
QED | 0.668 |
Synth | 3.447 |
Natural Product Likeliness | -0.448 |
NR-PPAR-gamma | 0.059 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.996 |
HIA | 0.016 |
CACO-2 | -4.987 |
MDCK | 0.00000456 |
BBB | 0.366 |
PPB | 0.584165 |
VDSS | 1.856 |
FU | 0.577284 |
CYP1A2-inh | 0.801 |
CYP1A2-sub | 0.194 |
CYP2c19-inh | 0.456 |
CYP2c19-sub | 0.059 |
CYP2c9-inh | 0.068 |
CYP2c9-sub | 0.421 |
CYP2d6-inh | 0.772 |
CYP2d6-sub | 0.03 |
CYP3a4-inh | 0.286 |
CYP3a4-sub | 0.487 |
CL | 11.802 |
T12 | 0.929 |
hERG | 0.057 |
Ames | 0.019 |
ROA | 0.972 |
SkinSen | 0.859 |
Carcinogencity | 0.014 |
EI | 0.248 |
Respiratory | 0.979 |
NR-Aromatase | 0.895 |
Antiviral | No |
Prediction | 0.774304 |