Chemoinformaics analysis of Naringenin
Molecular Weight | 272.256 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 18 |
Exact Molecular Weight | 272.068 | nRing | 3 |
Solubility: LogS | -3.876 | nHRing | 1 |
Solubility: LogP | 2.562 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 37.0615 |
nHD | 3 | BPOL | 14.6425 |
QED | 0.742 |
Synth | 2.825 |
Natural Product Likeliness | 1.76 |
NR-PPAR-gamma | 0.881 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.001 |
HIA | 0.018 |
CACO-2 | -4.803 |
MDCK | 0.00000723 |
BBB | 0.042 |
PPB | 0.937635 |
VDSS | 0.502 |
FU | 0.0565354 |
CYP1A2-inh | 0.917 |
CYP1A2-sub | 0.177 |
CYP2c19-inh | 0.793 |
CYP2c19-sub | 0.059 |
CYP2c9-inh | 0.823 |
CYP2c9-sub | 0.955 |
CYP2d6-inh | 0.745 |
CYP2d6-sub | 0.744 |
CYP3a4-inh | 0.855 |
CYP3a4-sub | 0.154 |
CL | 17.388 |
T12 | 0.774 |
hERG | 0.044 |
Ames | 0.342 |
ROA | 0.694 |
SkinSen | 0.925 |
Carcinogencity | 0.576 |
EI | 0.942 |
Respiratory | 0.34 |
NR-Aromatase | 0.063 |
Antiviral | Yes |
Prediction | 0.644254 |