MMsINC Database Search


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MMsINC code: MMs02408729

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

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

InChI:

InChI=1/C6H12O6/c7-1-3-5(9)12-4(2-8)6(10)11-3/h3-10H,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)=63.3188 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.02404	SlogP: -2.6082	Reactive groups: 0

Topological Properties
Globularity: 0.202628	Sterimol/B1: 2.43012	Sterimol/B2: 3.4201	Sterimol/B3: 3.60431
Sterimol/B4: 4.91554	Sterimol/L: 10.1556

Surface and Volume Properties
Accessible surface: 342.864	Positive charged surface: 267.7	Negative charged surface: 75.1647	Volume: 150.75
Hydrophobic surface: 140.751	Hydrophilic surface: 202.113

Pharmacophoric Properties
Hydrogen bond donors: 4	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.