MMsINC Database Search


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

MMsINC code: MMs01771387

Type: Neutral
Formula: C₆H₁₄O₆

SMILES:

OC(C(O)C(O)CO)C(O)CO

InChI:

InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,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)=75.1827 kcal/mol

Physical Properties
Molecular Weight: 182.172 g/mol	logS: 1.6247	SlogP: -3.5854	Reactive groups: 0

Topological Properties
Globularity: 0.0994442	Sterimol/B1: 2.55496	Sterimol/B2: 3.37447	Sterimol/B3: 3.56832
Sterimol/B4: 3.78987	Sterimol/L: 12.8537

Surface and Volume Properties
Accessible surface: 361.743	Positive charged surface: 264.892	Negative charged surface: 96.8509	Volume: 159.75
Hydrophobic surface: 123.995	Hydrophilic surface: 237.748

Pharmacophoric Properties
Hydrogen bond donors: 6	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: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.