MMsINC Database Search


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MMsINC code: MMs00021249

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

O1C(O)(CO)C(O)C(O)C1CO

InChI:

InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8559 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.07472	SlogP: -3.2198	Reactive groups: 0

Topological Properties
Globularity: 0.192659	Sterimol/B1: 3.11575	Sterimol/B2: 3.26251	Sterimol/B3: 3.29145
Sterimol/B4: 5.32692	Sterimol/L: 9.52329

Surface and Volume Properties
Accessible surface: 354.402	Positive charged surface: 264.782	Negative charged surface: 89.6205	Volume: 149.125
Hydrophobic surface: 120.534	Hydrophilic surface: 233.868

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.