Chemoinformaics analysis of ZEATIN-RIBOSIDE
Molecular Weight | 351.363 | nRot | 6 |
Heavy Atom Molecular Weight | 330.195 | nRig | 17 |
Exact Molecular Weight | 351.154 | nRing | 3 |
Solubility: LogS | -2.44 | nHRing | 3 |
Solubility: LogP | -0.501 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | 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 | 9 |
No. of Oxygen atom | 5 | No. of Arom Bond | 10 |
nHA | 10 | APOL | 48.5627 |
nHD | 5 | BPOL | 28.5033 |
QED | 0.399 |
Synth | 4.554 |
Natural Product Likeliness | 1.58 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.981 |
HIA | 0.97 |
CACO-2 | -5.453 |
MDCK | 0.00000619 |
BBB | 0.675 |
PPB | 0.252262 |
VDSS | 0.753 |
FU | 0.744197 |
CYP1A2-inh | 0.019 |
CYP1A2-sub | 0.113 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.06 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.306 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.04 |
CYP3a4-inh | 0.027 |
CYP3a4-sub | 0.07 |
CL | 6.757 |
T12 | 0.88 |
hERG | 0.024 |
Ames | 0.048 |
ROA | 0.701 |
SkinSen | 0.094 |
Carcinogencity | 0.061 |
EI | 0.01 |
Respiratory | 0.965 |
NR-Aromatase | 0.894 |
Antiviral | Yes |
Prediction | 0.554677 |