MMsINC Database Search


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MMsINC code: MMs00015161

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

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

InChI:

InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,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)=55.6269 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.24995	SlogP: -3.2214	Reactive groups: 0

Topological Properties
Globularity: 0.179958	Sterimol/B1: 2.98007	Sterimol/B2: 3.28363	Sterimol/B3: 4.41973
Sterimol/B4: 4.82525	Sterimol/L: 9.75794

Surface and Volume Properties
Accessible surface: 348.785	Positive charged surface: 263.847	Negative charged surface: 84.9387	Volume: 148.625
Hydrophobic surface: 113.639	Hydrophilic surface: 235.146

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.