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MMsINC code: MMs03079067

Type: Neutral
Formula: C₆H₁₀O₇

SMILES:

O1C(O)(C(O)=O)C(O)C(O)C1CO

InChI:

InChI=1/C6H10O7/c7-1-2-3(8)4(9)6(12,13-2)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)=80.4796 kcal/mol

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

Topological Properties
Globularity: 0.27103	Sterimol/B1: 3.03998	Sterimol/B2: 3.21141	Sterimol/B3: 3.93345
Sterimol/B4: 4.46398	Sterimol/L: 9.99102

Surface and Volume Properties
Accessible surface: 348.433	Positive charged surface: 243.643	Negative charged surface: 104.791	Volume: 150.625
Hydrophobic surface: 93.5356	Hydrophilic surface: 254.8974

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

MMs03079068
PUBCHEM-ZINC03869929