MMsINC Database Search


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MMsINC code: MMs03186918

Type: Neutral
Formula: C₁₇H₂₄O₆

SMILES:

O(CCOCCOCCOCCOC(=O)C=C)c1ccccc1

InChI:

InChI=1/C17H24O6/c1-2-17(18)23-15-13-21-11-9-19-8-10-20-12-14-22-16-6-4-3-5-7-16/h2-7H,1,8-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9885 kcal/mol

Physical Properties
Molecular Weight: 324.373 g/mol	logS: -2.76758	SlogP: 1.8444	Reactive groups: 0

Topological Properties
Globularity: 0.0829103	Sterimol/B1: 2.45998	Sterimol/B2: 4.5607	Sterimol/B3: 4.74014
Sterimol/B4: 6.05466	Sterimol/L: 21.1118

Surface and Volume Properties
Accessible surface: 690.43	Positive charged surface: 502.578	Negative charged surface: 187.852	Volume: 323.25
Hydrophobic surface: 592.394	Hydrophilic surface: 98.036

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.