MMsINC Database Search


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MMsINC code: MMs03129570

Type: Neutral
Formula: C₁₄H₂₀O₁₀

SMILES:

O1C(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1O

InChI:

InChI=1/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7812 kcal/mol

Physical Properties
Molecular Weight: 348.304 g/mol	logS: -1.22233	SlogP: -0.9382	Reactive groups: 0

Topological Properties
Globularity: 0.162508	Sterimol/B1: 3.6113	Sterimol/B2: 4.2865	Sterimol/B3: 4.78308
Sterimol/B4: 7.33889	Sterimol/L: 15.2242

Surface and Volume Properties
Accessible surface: 610.012	Positive charged surface: 379.287	Negative charged surface: 230.725	Volume: 301.375
Hydrophobic surface: 424.144	Hydrophilic surface: 185.868

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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

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Ions/Tautomers related molecules: no related molecules available.