MMsINC Database Search


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MMsINC code: MMs00016297

Type: Neutral
Formula: C₆H₁₀O₅

SMILES:

O1C2COC1C(O)C(O)C2O

InChI:

InChI=1/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.826 kcal/mol

Physical Properties
Molecular Weight: 162.141 g/mol	logS: 0.55339	SlogP: -2.1758	Reactive groups: 0

Topological Properties
Globularity: 0.602322	Sterimol/B1: 3.25624	Sterimol/B2: 3.4827	Sterimol/B3: 3.87053
Sterimol/B4: 4.43918	Sterimol/L: 8.37731

Surface and Volume Properties
Accessible surface: 300.912	Positive charged surface: 238.864	Negative charged surface: 62.0476	Volume: 131.875
Hydrophobic surface: 138.438	Hydrophilic surface: 162.474

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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: no related molecules available.