Chemoinformaics analysis of FLAVIDIN
Molecular Weight | 240.258 | nRot | 0 |
Heavy Atom Molecular Weight | 228.162 | nRig | 19 |
Exact Molecular Weight | 240.079 | nRing | 4 |
Solubility: LogS | -4.08 | nHRing | 1 |
Solubility: LogP | 3.011 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | 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 | 3 | No. of Arom Bond | 12 |
nHA | 3 | APOL | 35.4575 |
nHD | 2 | BPOL | 13.7745 |
QED | 0.744 |
Synth | 2.74 |
Natural Product Likeliness | 1.286 |
NR-PPAR-gamma | 0.685 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.199 |
Pgp-sub | 0.009 |
HIA | 0.008 |
CACO-2 | -4.952 |
MDCK | 0.0000132 |
BBB | 0.389 |
PPB | 0.91676 |
VDSS | 1.57 |
FU | 0.0442211 |
CYP1A2-inh | 0.944 |
CYP1A2-sub | 0.365 |
CYP2c19-inh | 0.32 |
CYP2c19-sub | 0.067 |
CYP2c9-inh | 0.192 |
CYP2c9-sub | 0.885 |
CYP2d6-inh | 0.836 |
CYP2d6-sub | 0.914 |
CYP3a4-inh | 0.58 |
CYP3a4-sub | 0.127 |
CL | 13.68 |
T12 | 0.517 |
hERG | 0.207 |
Ames | 0.753 |
ROA | 0.192 |
SkinSen | 0.909 |
Carcinogencity | 0.126 |
EI | 0.896 |
Respiratory | 0.168 |
NR-Aromatase | 0.559 |
Antiviral | Yes |
Prediction | 0.660635 |