Chemoinformaics analysis of Levan n
Molecular Weight | 504.438 | nRot | 10 |
Heavy Atom Molecular Weight | 472.182 | nRig | 6 |
Exact Molecular Weight | 504.169 | nRing | 3 |
Solubility: LogS | -0.777 | nHRing | 3 |
Solubility: LogP | 1.757 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 66 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 0 |
nHetero | 16 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 18 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 16 | No. of Arom Bond | 0 |
nHA | 16 | APOL | 64.2294 |
nHD | 11 | BPOL | 40.7826 |
QED | 0.641 |
Synth | 4.037 |
Natural Product Likeliness | 3.614 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.005 |
CACO-2 | -4.253 |
MDCK | 0.0000267 |
BBB | 0.966 |
PPB | 0.609248 |
VDSS | 1.437 |
FU | 0.420072 |
CYP1A2-inh | 0.03 |
CYP1A2-sub | 0.601 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.885 |
CYP2c9-inh | 0.03 |
CYP2c9-sub | 0.224 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.385 |
CYP3a4-inh | 0.095 |
CYP3a4-sub | 0.347 |
CL | 6.418 |
T12 | 0.625 |
hERG | 0.012 |
Ames | 0.02 |
ROA | 0.042 |
SkinSen | 0.175 |
Carcinogencity | 0.131 |
EI | 0.906 |
Respiratory | 0.041 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.670058 |