MMsINC Database Search


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MMsINC code: MMs02456265

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1C(COC)C(O)C(O)C(O)C1O

InChI:

InChI=1/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7036 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 0.90477	SlogP: -2.5673	Reactive groups: 0

Topological Properties
Globularity: 0.134169	Sterimol/B1: 3.17864	Sterimol/B2: 3.22024	Sterimol/B3: 3.91458
Sterimol/B4: 4.541	Sterimol/L: 11.3482

Surface and Volume Properties
Accessible surface: 380.573	Positive charged surface: 317.558	Negative charged surface: 63.015	Volume: 166.375
Hydrophobic surface: 201.478	Hydrophilic surface: 179.095

Pharmacophoric Properties
Hydrogen bond donors: 4	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.