Chemoinformaics analysis of LOGANETIN
Molecular Weight | 228.244 | nRot | 1 |
Heavy Atom Molecular Weight | 212.116 | nRig | 11 |
Exact Molecular Weight | 228.1 | nRing | 2 |
Solubility: LogS | -0.624 | nHRing | 1 |
Solubility: LogP | 0.044 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 33.0487 |
nHD | 2 | BPOL | 20.3913 |
QED | 0.619 |
Synth | 4.359 |
Natural Product Likeliness | 2.793 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.607 |
CACO-2 | -4.877 |
MDCK | 0.0000947 |
BBB | 0.925 |
PPB | 0.245335 |
VDSS | 0.881 |
FU | 0.642551 |
CYP1A2-inh | 0.043 |
CYP1A2-sub | 0.582 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.842 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.149 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.144 |
CYP3a4-inh | 0.017 |
CYP3a4-sub | 0.352 |
CL | 8.302 |
T12 | 0.824 |
hERG | 0.02 |
Ames | 0.178 |
ROA | 0.502 |
SkinSen | 0.138 |
Carcinogencity | 0.951 |
EI | 0.042 |
Respiratory | 0.942 |
NR-Aromatase | 0.002 |
Antiviral | No |
Prediction | 0.613122 |