MMsINC Database Search


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

MMsINC code: MMs02435169

Type: Neutral
Formula: C₇H₁₄O₆

SMILES:

O1COC(CO)C(O)C1C(O)CO

InChI:

InChI=1/C7H14O6/c8-1-4(10)7-6(11)5(2-9)12-3-13-7/h4-11H,1-3H2/t4-,5-,6+,7+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1966 kcal/mol

Physical Properties
Molecular Weight: 194.183 g/mol	logS: 1.08	SlogP: -2.5657	Reactive groups: 0

Topological Properties
Globularity: 0.109077	Sterimol/B1: 2.22429	Sterimol/B2: 2.61243	Sterimol/B3: 3.39223
Sterimol/B4: 5.27282	Sterimol/L: 12.847

Surface and Volume Properties
Accessible surface: 373.228	Positive charged surface: 303.195	Negative charged surface: 70.0334	Volume: 165.875
Hydrophobic surface: 173.996	Hydrophilic surface: 199.232

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.