MMsINC Database Search


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

MMsINC code: MMs03416630

Type: Neutral
Formula: C₆H₁₂O₅

SMILES:

O1C(CO)C(O)C(O)CC1O

InChI:

InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4+,5-,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.0035 kcal/mol

Physical Properties
Molecular Weight: 164.157 g/mol	logS: 0.84564	SlogP: -2.1922	Reactive groups: 0

Topological Properties
Globularity: 0.231047	Sterimol/B1: 2.55009	Sterimol/B2: 3.57588	Sterimol/B3: 3.96856
Sterimol/B4: 4.65002	Sterimol/L: 9.72595

Surface and Volume Properties
Accessible surface: 334.732	Positive charged surface: 262.728	Negative charged surface: 72.004	Volume: 142.75
Hydrophobic surface: 146.986	Hydrophilic surface: 187.746

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.