Chemoinformaics analysis of Enicoflavine
Molecular Weight | 211.217 | nRot | 3 |
Heavy Atom Molecular Weight | 198.113 | nRig | 10 |
Exact Molecular Weight | 211.084 | nRing | 1 |
Solubility: LogS | -1.391 | nHRing | 1 |
Solubility: LogP | -0.256 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 29.6763 |
nHD | 2 | BPOL | 15.9437 |
QED | 0.295 |
Synth | 5.25 |
Natural Product Likeliness | 1.507 |
NR-PPAR-gamma | 0.63 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.34 |
CACO-2 | -4.721 |
MDCK | 0.0000984 |
BBB | 0.962 |
PPB | 0.491751 |
VDSS | 0.741 |
FU | 0.64664 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.299 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.16 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.164 |
CYP3a4-inh | 0.035 |
CYP3a4-sub | 0.161 |
CL | 5.244 |
T12 | 0.555 |
hERG | 0.024 |
Ames | 0.307 |
ROA | 0.04 |
SkinSen | 0.583 |
Carcinogencity | 0.057 |
EI | 0.334 |
Respiratory | 0.826 |
NR-Aromatase | 0.374 |
Antiviral | No |
Prediction | 0.922213 |