MMsINC Database Search


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MMsINC code: MMs03624106

Type: Neutral
Formula: C₁₀H₂₀O₆

SMILES:

O1C(OC)(CO)C(OC)C(OC)C1COC

InChI:

InChI=1/C10H20O6/c1-12-5-7-8(13-2)9(14-3)10(6-11,15-4)16-7/h7-9,11H,5-6H2,1-4H3/t7-,8-,9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.871 kcal/mol

Physical Properties
Molecular Weight: 236.264 g/mol	logS: -0.306	SlogP: -0.6034	Reactive groups: 0

Topological Properties
Globularity: 0.285198	Sterimol/B1: 3.36972	Sterimol/B2: 4.07697	Sterimol/B3: 4.93562
Sterimol/B4: 6.27979	Sterimol/L: 11.7986

Surface and Volume Properties
Accessible surface: 465.181	Positive charged surface: 419.731	Negative charged surface: 45.4503	Volume: 224.625
Hydrophobic surface: 385.499	Hydrophilic surface: 79.682

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.