MMsINC Database Search


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MMsINC code: MMs03201792

Type: Neutral
Formula: C₁₀H₂₂O₆

SMILES:

O(C(C(O)CCOCCCO)CO)CCO

InChI:

InChI=1/C10H22O6/c11-3-1-5-15-6-2-9(14)10(8-13)16-7-4-12/h9-14H,1-8H2/t9-,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6781 kcal/mol

Physical Properties
Molecular Weight: 238.28 g/mol	logS: 0.5308	SlogP: -1.4938	Reactive groups: 0

Topological Properties
Globularity: 0.0493128	Sterimol/B1: 2.68715	Sterimol/B2: 3.57166	Sterimol/B3: 4.82427
Sterimol/B4: 5.0816	Sterimol/L: 15.2998

Surface and Volume Properties
Accessible surface: 517.922	Positive charged surface: 434.376	Negative charged surface: 83.5459	Volume: 235
Hydrophobic surface: 323.89	Hydrophilic surface: 194.032

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.