MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02408731

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)=51.7705 kcal/mol

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

Topological Properties
Globularity: 0.225777	Sterimol/B1: 2.50257	Sterimol/B2: 3.63466	Sterimol/B3: 4.2627
Sterimol/B4: 4.65307	Sterimol/L: 10.0474

Surface and Volume Properties
Accessible surface: 353.332	Positive charged surface: 266.278	Negative charged surface: 87.0535	Volume: 150
Hydrophobic surface: 129.158	Hydrophilic surface: 224.174

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.