Chemoinformaics analysis of RHODODENDROL
Molecular Weight | 166.22 | nRot | 3 |
Heavy Atom Molecular Weight | 152.108 | nRig | 6 |
Exact Molecular Weight | 166.099 | nRing | 1 |
Solubility: LogS | -0.971 | nHRing | 0 |
Solubility: LogP | 1.5 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 27.6391 |
nHD | 2 | BPOL | 14.0449 |
QED | 0.717 |
Synth | 2.195 |
Natural Product Likeliness | 1.023 |
NR-PPAR-gamma | 0.03 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.142 |
HIA | 0.011 |
CACO-2 | -4.318 |
MDCK | 0.0000164 |
BBB | 0.295 |
PPB | 0.616616 |
VDSS | 2.108 |
FU | 0.337049 |
CYP1A2-inh | 0.7 |
CYP1A2-sub | 0.774 |
CYP2c19-inh | 0.697 |
CYP2c19-sub | 0.549 |
CYP2c9-inh | 0.202 |
CYP2c9-sub | 0.916 |
CYP2d6-inh | 0.327 |
CYP2d6-sub | 0.855 |
CYP3a4-inh | 0.022 |
CYP3a4-sub | 0.358 |
CL | 14.461 |
T12 | 0.86 |
hERG | 0.042 |
Ames | 0.068 |
ROA | 0.093 |
SkinSen | 0.563 |
Carcinogencity | 0.343 |
EI | 0.977 |
Respiratory | 0.032 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.894754 |