Bis-beta-carboxyethylgermanium sesquioxide
IUPAC name: 3,3-(1,3-dioxo-1,3-digermoxanediyl)bis-Propanoic acid
CAS Number: 12758-40-6
Class: Organic germanium compound
Mushrooms contain this compound
1 mushrooms
| MushID |
Thai name |
Common name |
Scientific name |
Family |
| 1 |
เห็ดหลินจือ |
Lingzhi |
Ganoderma lucidum ( Curtis ) P. Karst. |
Ganodermataceae |
2D Structure
Compound Properties
SMILES
OC(=O)CC[Ge](=O)O[Ge](=O)CCC(=O)O
Physicochemical Properties
| Formula |
C6H10Ge2O7 |
| Molecular wieght(g/mol) |
339.42 |
| Num. of Heavy atoms |
15 |
| Num. of Aromatic Heavy atoms |
0 |
| Fraction Csp3 |
0.67 |
| Num. of Rotatable bonds |
8 |
| Num. of H-bond acceptors |
7 |
| Num. of H-bonds donors |
2 |
| Molar Refractivity |
48.47 |
| TPSA (square Angstrom) |
117.97 |
Lipophilicity
| iLOGP |
0.00 |
| XLOGP3 |
-1.00 |
| WLOGP |
-0.21 |
| MLOGP |
-2.38 |
| Silicos-IT LOGP |
-2.48 |
| Consensus LOGP |
-1.21 |
Water Solubility
| ESOL |
|
| LogS |
-0.79 |
Solubility(mg/ml) |
5.55E+01 |
Solubility(mol/l) |
1.64E-01 |
Class |
Very soluble |
| Ali |
|
| LogS |
-0.99 |
Solubility(mg/ml) |
3.47E+01 |
Solubility(mol/l) |
1.02E-01 |
Class |
Very soluble |
| Silicos-IT |
|
| LogS |
-0.28 |
Solubility(mg/ml) |
1.79E+02 |
Solubility(mol/l) |
5.28E-01 |
Class |
Soluble |
Pharmacokinetics
| GI absorbtion |
High |
| BBB permeant |
No |
| Pgp substrate |
No |
| CYP1A2 inhibitor |
No |
| CYP2C19 inhibitor |
No |
| CYP2C9 inhibitor |
No |
| CYP2D6 inhibitor |
No |
| CYP3A4 inhibitor |
No |
| Log Kp (skin permeation) (cm/s) |
-9.08 |
Druglikeness
| Lipinski Num. violations |
0 |
| Ghose Num. violations |
0 |
| Veber Num. violations |
0 |
| Egan Num. violations |
0 |
| Muegge Num. violations |
0 |
| Bioavailability Score |
0.56 |
Medicinal Chemistry
| PAINS Num. of alerts |
0 |
| Brenk Num. of alerts |
0 |
| Leadlikeness Num. of violations |
1 |
| Synthetic Accessibility |
4.58 |
