Chemoinformaics analysis of Sugiresinol
Molecular Weight | 286.327 | nRot | 2 |
Heavy Atom Molecular Weight | 268.183 | nRig | 18 |
Exact Molecular Weight | 286.121 | nRing | 3 |
Solubility: LogS | -2.917 | nHRing | 1 |
Solubility: LogP | 2.407 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 43.6003 |
nHD | 3 | BPOL | 19.7937 |
QED | 0.794 |
Synth | 3.248 |
Natural Product Likeliness | 0.796 |
NR-PPAR-gamma | 0.048 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.941 |
HIA | 0.017 |
CACO-2 | -4.677 |
MDCK | 0.00000874 |
BBB | 0.058 |
PPB | 0.918914 |
VDSS | 1.193 |
FU | 0.0780433 |
CYP1A2-inh | 0.149 |
CYP1A2-sub | 0.113 |
CYP2c19-inh | 0.498 |
CYP2c19-sub | 0.176 |
CYP2c9-inh | 0.5 |
CYP2c9-sub | 0.962 |
CYP2d6-inh | 0.32 |
CYP2d6-sub | 0.75 |
CYP3a4-inh | 0.467 |
CYP3a4-sub | 0.44 |
CL | 15.299 |
T12 | 0.741 |
hERG | 0.28 |
Ames | 0.399 |
ROA | 0.539 |
SkinSen | 0.943 |
Carcinogencity | 0.587 |
EI | 0.925 |
Respiratory | 0.709 |
NR-Aromatase | 0.133 |
Antiviral | Yes |
Prediction | 0.660302 |