MMsINC Database Search


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MMsINC code: MMs02468966

Type: Neutral
Formula: C₁₀H₂₀O₉

SMILES:

O1C(CO)C(O)C(O)C(O)C1OCC(O)C(O)CO

InChI:

InChI=1/C10H20O9/c11-1-4(13)5(14)3-18-10-9(17)8(16)7(15)6(2-12)19-10/h4-17H,1-3H2/t4-,5+,6-,7-,8+,9+,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.099 kcal/mol

Physical Properties
Molecular Weight: 284.261 g/mol	logS: 1.51239	SlogP: -4.483	Reactive groups: 0

Topological Properties
Globularity: 0.0721048	Sterimol/B1: 3.16407	Sterimol/B2: 3.2287	Sterimol/B3: 3.76647
Sterimol/B4: 6.94794	Sterimol/L: 15.4092

Surface and Volume Properties
Accessible surface: 506.573	Positive charged surface: 389.716	Negative charged surface: 116.857	Volume: 240.375
Hydrophobic surface: 195.924	Hydrophilic surface: 310.649

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 9	Acid groups: 0	Basic groups: 0
Chiral centers: 7

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.