MMsINC Database Search


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MMsINC code: MMs02452091

Type: Neutral
Formula: C₆H₁₄O₆

SMILES:

O(C(O)C(O)C(O)C(O)CO)C

InChI:

InChI=1/C6H14O6/c1-12-6(11)5(10)4(9)3(8)2-7/h3-11H,2H2,1H3/t3-,4-,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6637 kcal/mol

Physical Properties
Molecular Weight: 182.172 g/mol	logS: 1.39879	SlogP: -2.9738	Reactive groups: 0

Topological Properties
Globularity: 0.095503	Sterimol/B1: 2.98329	Sterimol/B2: 3.08086	Sterimol/B3: 3.24323
Sterimol/B4: 3.50514	Sterimol/L: 12.9573

Surface and Volume Properties
Accessible surface: 369.799	Positive charged surface: 281.241	Negative charged surface: 88.5581	Volume: 163
Hydrophobic surface: 165.971	Hydrophilic surface: 203.828

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	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: no related molecules available.