Chemoinformaics analysis of Dihydrodehydrodiconiferyl Alcohol
Molecular Weight | 360.406 | nRot | 7 |
Heavy Atom Molecular Weight | 336.214 | nRig | 16 |
Exact Molecular Weight | 360.157 | nRing | 3 |
Solubility: LogS | -3.637 | nHRing | 1 |
Solubility: LogP | 1.803 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 54.215 |
nHD | 3 | BPOL | 29.285 |
QED | 0.703 |
Synth | 3.267 |
Natural Product Likeliness | 1.717 |
NR-PPAR-gamma | 0.668 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.242 |
Pgp-sub | 0.004 |
HIA | 0.011 |
CACO-2 | -4.779 |
MDCK | 0.0000122 |
BBB | 0.133 |
PPB | 0.705814 |
VDSS | 1.295 |
FU | 0.106517 |
CYP1A2-inh | 0.066 |
CYP1A2-sub | 0.849 |
CYP2c19-inh | 0.123 |
CYP2c19-sub | 0.823 |
CYP2c9-inh | 0.276 |
CYP2c9-sub | 0.746 |
CYP2d6-inh | 0.108 |
CYP2d6-sub | 0.814 |
CYP3a4-inh | 0.697 |
CYP3a4-sub | 0.881 |
CL | 9.11 |
T12 | 0.612 |
hERG | 0.052 |
Ames | 0.145 |
ROA | 0.274 |
SkinSen | 0.666 |
Carcinogencity | 0.096 |
EI | 0.013 |
Respiratory | 0.041 |
NR-Aromatase | 0.799 |
Antiviral | Yes |
Prediction | 0.538747 |