MMsINC Database Search


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MMsINC code: MMs02382947

Type: Neutral
Formula: C₁₀H₂₀O₆

SMILES:

O1C(COC)C(OC)C(OC)C(OC)C1O

InChI:

InChI=1/C10H20O6/c1-12-5-6-7(13-2)8(14-3)9(15-4)10(11)16-6/h6-11H,5H2,1-4H3/t6-,7+,8-,9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6385 kcal/mol

Physical Properties
Molecular Weight: 236.264 g/mol	logS: -0.13077	SlogP: -0.605	Reactive groups: 0

Topological Properties
Globularity: 0.238764	Sterimol/B1: 3.24908	Sterimol/B2: 3.6952	Sterimol/B3: 4.83782
Sterimol/B4: 6.06817	Sterimol/L: 12.9709

Surface and Volume Properties
Accessible surface: 465.15	Positive charged surface: 434.968	Negative charged surface: 30.1822	Volume: 225.5
Hydrophobic surface: 402.429	Hydrophilic surface: 62.721

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.