Chemoinformaics analysis of Floribin
Molecular Weight | 296.539 | nRot | 13 |
Heavy Atom Molecular Weight | 256.219 | nRig | 2 |
Exact Molecular Weight | 296.308 | nRing | 0 |
Solubility: LogS | -0.785 | nHRing | 0 |
Solubility: LogP | 1.446 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 61 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 40 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 60.8737 |
nHD | 1 | BPOL | 40.1283 |
QED | 0.386 |
Synth | 3.094 |
Natural Product Likeliness | 2.598 |
NR-PPAR-gamma | 0.075 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.004 |
CACO-2 | -4.309 |
MDCK | 0.00003 |
BBB | 0.982 |
PPB | 0.205809 |
VDSS | 0.971 |
FU | 0.800838 |
CYP1A2-inh | 0.216 |
CYP1A2-sub | 0.386 |
CYP2c19-inh | 0.033 |
CYP2c19-sub | 0.425 |
CYP2c9-inh | 0.009 |
CYP2c9-sub | 0.764 |
CYP2d6-inh | 0.013 |
CYP2d6-sub | 0.441 |
CYP3a4-inh | 0.021 |
CYP3a4-sub | 0.164 |
CL | 9.26 |
T12 | 0.81 |
hERG | 0.018 |
Ames | 0.962 |
ROA | 0.03 |
SkinSen | 0.962 |
Carcinogencity | 0.321 |
EI | 0.996 |
Respiratory | 0.935 |
NR-Aromatase | 0.018 |
Antiviral | Yes |
Prediction | 0.590837 |