MMsINC Database Search


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

MMsINC code: MMs01771389

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

O1C(C)C(O)C(O)C(O)C1O

InChI:

InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9731 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.7202	SlogP: -2.1938	Reactive groups: 0

Topological Properties
Globularity: 0.210251	Sterimol/B1: 2.99594	Sterimol/B2: 3.27197	Sterimol/B3: 3.49434
Sterimol/B4: 5.20802	Sterimol/L: 8.83306

Surface and Volume Properties
Accessible surface: 331.922	Positive charged surface: 237.889	Negative charged surface: 94.0335	Volume: 142.75
Hydrophobic surface: 125.984	Hydrophilic surface: 205.938

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.