Chemoinformaics analysis of ERIOFLORIN
Molecular Weight | 348.395 | nRot | 2 |
Heavy Atom Molecular Weight | 324.203 | nRig | 20 |
Exact Molecular Weight | 348.157 | nRing | 3 |
Solubility: LogS | -2.08 | nHRing | 2 |
Solubility: LogP | 1.111 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
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 | 2 |
No. of Carbon atom | 19 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 52.545 |
nHD | 1 | BPOL | 31.021 |
QED | 0.355 |
Synth | 5.158 |
Natural Product Likeliness | 3.485 |
NR-PPAR-gamma | 0.961 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.683 |
CACO-2 | -4.949 |
MDCK | 0.0000152 |
BBB | 0.334 |
PPB | 0.464222 |
VDSS | 1.3 |
FU | 0.261311 |
CYP1A2-inh | 0.044 |
CYP1A2-sub | 0.214 |
CYP2c19-inh | 0.107 |
CYP2c19-sub | 0.608 |
CYP2c9-inh | 0.421 |
CYP2c9-sub | 0.083 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.22 |
CYP3a4-inh | 0.26 |
CYP3a4-sub | 0.276 |
CL | 12.217 |
T12 | 0.204 |
hERG | 0.008 |
Ames | 0.05 |
ROA | 0.649 |
SkinSen | 0.289 |
Carcinogencity | 0.126 |
EI | 0.095 |
Respiratory | 0.856 |
NR-Aromatase | 0.714 |
Antiviral | Yes |
Prediction | 0.74413 |