Chemoinformaics analysis of RIBOFLAVIN
Molecular Weight | 376.369 | nRot | 5 |
Heavy Atom Molecular Weight | 356.209 | nRig | 18 |
Exact Molecular Weight | 376.138 | nRing | 3 |
Solubility: LogS | -3.657 | nHRing | 2 |
Solubility: LogP | -0.438 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 47 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 1 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 14 |
No. of Oxygen atom | 6 | No. of Arom Bond | 15 |
nHA | 9 | APOL | 50.9379 |
nHD | 5 | BPOL | 26.3601 |
QED | 0.328 |
Synth | 3.791 |
Natural Product Likeliness | 0.065 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.961 |
HIA | 0.104 |
CACO-2 | -5.961 |
MDCK | 0.00000422 |
BBB | 0.444 |
PPB | 0.815786 |
VDSS | 0.608 |
FU | 0.216886 |
CYP1A2-inh | 0.086 |
CYP1A2-sub | 0.076 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.053 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.148 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.107 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.054 |
CL | 5.667 |
T12 | 0.577 |
hERG | 0.029 |
Ames | 0.046 |
ROA | 0.025 |
SkinSen | 0.01 |
Carcinogencity | 0.034 |
EI | 0.009 |
Respiratory | 0.216 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.904179 |