MMsINC Database Search


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MMsINC code: MMs03404881

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1C(CO)C(O)C(CO)C(O)C1O

InChI:

InChI=1/C7H14O6/c8-1-3-5(10)4(2-9)13-7(12)6(3)11/h3-12H,1-2H2/t3-,4+,5-,6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.5848 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 1.17362	SlogP: -2.9738	Reactive groups: 0

Topological Properties
Globularity: 0.14652	Sterimol/B1: 2.96502	Sterimol/B2: 3.27605	Sterimol/B3: 3.42189
Sterimol/B4: 5.72354	Sterimol/L: 11.5484

Surface and Volume Properties
Accessible surface: 369.221	Positive charged surface: 286.741	Negative charged surface: 82.4804	Volume: 166.125
Hydrophobic surface: 139.597	Hydrophilic surface: 229.624

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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.