Chemoinformaics analysis of Flavidinin
Molecular Weight | 254.285 | nRot | 1 |
Heavy Atom Molecular Weight | 240.173 | nRig | 19 |
Exact Molecular Weight | 254.094 | nRing | 4 |
Solubility: LogS | -5.405 | nHRing | 1 |
Solubility: LogP | 3.502 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | 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 | 38.4611 |
nHD | 1 | BPOL | 17.5169 |
QED | 0.85 |
Synth | 2.603 |
Natural Product Likeliness | 1.241 |
NR-PPAR-gamma | 0.676 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.23 |
Pgp-sub | 0.004 |
HIA | 0.004 |
CACO-2 | -4.973 |
MDCK | 0.0000149 |
BBB | 0.572 |
PPB | 0.952161 |
VDSS | 2.012 |
FU | 0.0216382 |
CYP1A2-inh | 0.936 |
CYP1A2-sub | 0.848 |
CYP2c19-inh | 0.667 |
CYP2c19-sub | 0.244 |
CYP2c9-inh | 0.159 |
CYP2c9-sub | 0.912 |
CYP2d6-inh | 0.681 |
CYP2d6-sub | 0.939 |
CYP3a4-inh | 0.614 |
CYP3a4-sub | 0.178 |
CL | 11.025 |
T12 | 0.272 |
hERG | 0.147 |
Ames | 0.817 |
ROA | 0.14 |
SkinSen | 0.714 |
Carcinogencity | 0.161 |
EI | 0.793 |
Respiratory | 0.41 |
NR-Aromatase | 0.586 |
Antiviral | Yes |
Prediction | 0.688388 |