MMsINC Database Search


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MMsINC code: MMs03137315

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

O1C(OC)C(O)C(O)C1OC

InChI:

InChI=1/C6H12O5/c1-9-5-3(7)4(8)6(10-2)11-5/h3-8H,1-2H3/t3-,4-,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9832 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.47632	SlogP: -1.3166	Reactive groups: 0

Topological Properties
Globularity: 0.151867	Sterimol/B1: 2.42962	Sterimol/B2: 2.85965	Sterimol/B3: 3.10563
Sterimol/B4: 5.46354	Sterimol/L: 9.83825

Surface and Volume Properties
Accessible surface: 350.931	Positive charged surface: 302.455	Negative charged surface: 48.4767	Volume: 147.875
Hydrophobic surface: 237.067	Hydrophilic surface: 113.864

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.