MMsINC Database Search


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MMsINC code: MMs00023211

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1C(CO)C(O)C(O)C(O)C1OC

InChI:

InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/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)=64.1854 kcal/mol

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

Topological Properties
Globularity: 0.165818	Sterimol/B1: 2.83852	Sterimol/B2: 3.50392	Sterimol/B3: 4.93146
Sterimol/B4: 5.40706	Sterimol/L: 10.7215

Surface and Volume Properties
Accessible surface: 376.728	Positive charged surface: 309.585	Negative charged surface: 67.1431	Volume: 168.75
Hydrophobic surface: 194.877	Hydrophilic surface: 181.851

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.