Chemoinformaics analysis of KINETIN RIBOSIDE
Molecular Weight | 347.331 | nRot | 5 |
Heavy Atom Molecular Weight | 330.195 | nRig | 21 |
Exact Molecular Weight | 347.123 | nRing | 4 |
Solubility: LogS | -2.499 | nHRing | 4 |
Solubility: LogP | -0.373 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 3 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 15 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 14 |
No. of Oxygen atom | 5 | No. of Arom Bond | 15 |
nHA | 10 | APOL | 45.8955 |
nHD | 4 | BPOL | 26.2265 |
QED | 0.477 |
Synth | 4.248 |
Natural Product Likeliness | 0.674 |
NR-PPAR-gamma | 0.054 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.759 |
HIA | 0.975 |
CACO-2 | -5.597 |
MDCK | 0.00000378 |
BBB | 0.766 |
PPB | 0.376927 |
VDSS | 2.208 |
FU | 0.596006 |
CYP1A2-inh | 0.029 |
CYP1A2-sub | 0.198 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.272 |
CYP2d6-inh | 0.017 |
CYP2d6-sub | 0.049 |
CYP3a4-inh | 0.046 |
CYP3a4-sub | 0.111 |
CL | 10.803 |
T12 | 0.845 |
hERG | 0.038 |
Ames | 0.064 |
ROA | 0.589 |
SkinSen | 0.136 |
Carcinogencity | 0.045 |
EI | 0.008 |
Respiratory | 0.883 |
NR-Aromatase | 0.896 |
Antiviral | Yes |
Prediction | 0.759147 |