Chemoinformaics analysis of FRUTICOSAMINE
Molecular Weight | 380.444 | nRot | 0 |
Heavy Atom Molecular Weight | 356.252 | nRig | 30 |
Exact Molecular Weight | 380.174 | nRing | 9 |
Solubility: LogS | -2.925 | nHRing | 3 |
Solubility: LogP | 1.641 | No. of Aliphatic Rings | 8 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 6 | No. Saturated Carbocycles | 5 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 22 | No. of Saturated Rings | 7 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 58.151 |
nHD | 1 | BPOL | 30.969 |
QED | 0.742 |
Synth | 7.03 |
Natural Product Likeliness | 1.526 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.024 |
Pgp-sub | 0.024 |
HIA | 0.009 |
CACO-2 | -4.976 |
MDCK | 0.0000303 |
BBB | 0.807 |
PPB | 0.323324 |
VDSS | 1.578 |
FU | 0.636462 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.784 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.956 |
CYP2c9-inh | 0.027 |
CYP2c9-sub | 0.159 |
CYP2d6-inh | 0.044 |
CYP2d6-sub | 0.604 |
CYP3a4-inh | 0.195 |
CYP3a4-sub | 0.925 |
CL | 7.315 |
T12 | 0.06 |
hERG | 0.018 |
Ames | 0.015 |
ROA | 0.996 |
SkinSen | 0.032 |
Carcinogencity | 0.899 |
EI | 0.011 |
Respiratory | 0.972 |
NR-Aromatase | 0.068 |
Antiviral | Yes |
Prediction | 0.684948 |