MMsINC Database Search


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

MMsINC code: MMs02381359

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

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

InChI:

InChI=1/C6H12O5/c7-1-3-5(9)6(10)4(2-8)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)=68.3851 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.92814	SlogP: -2.5398	Reactive groups: 0

Topological Properties
Globularity: 0.148146	Sterimol/B1: 2.68257	Sterimol/B2: 3.04794	Sterimol/B3: 3.52274
Sterimol/B4: 4.77237	Sterimol/L: 9.70027

Surface and Volume Properties
Accessible surface: 340.374	Positive charged surface: 256.688	Negative charged surface: 83.6863	Volume: 144
Hydrophobic surface: 140.208	Hydrophilic surface: 200.166

Pharmacophoric Properties
Hydrogen bond donors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.