MMsINC Database Search


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MMsINC code: MMs03201793

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)=57.0134 kcal/mol

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

Topological Properties
Globularity: 0.0546453	Sterimol/B1: 2.99045	Sterimol/B2: 3.30667	Sterimol/B3: 4.01012
Sterimol/B4: 5.03492	Sterimol/L: 15.5496

Surface and Volume Properties
Accessible surface: 513.8	Positive charged surface: 438.245	Negative charged surface: 75.5554	Volume: 233.375
Hydrophobic surface: 330.418	Hydrophilic surface: 183.382

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.