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MMsINC code: MMs03686250

Type: Neutral
Formula: C₆H₁₀O₇

SMILES:

O1C(O)(CO)C(O)C(O)C1C(O)=O

InChI:

InChI=1/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)/t2-,3-,4-,6+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5808 kcal/mol

Physical Properties
Molecular Weight: 194.139 g/mol	logS: 0.87634	SlogP: -3.1275	Reactive groups: 0

Topological Properties
Globularity: 0.186345	Sterimol/B1: 2.66792	Sterimol/B2: 3.26736	Sterimol/B3: 3.8892
Sterimol/B4: 4.96223	Sterimol/L: 10.6136

Surface and Volume Properties
Accessible surface: 352.252	Positive charged surface: 241.57	Negative charged surface: 110.681	Volume: 151.625
Hydrophobic surface: 89.7293	Hydrophilic surface: 262.5227

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03686251
PUBCHEM-ZINC06360550