MMsINC Database Search


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MMsINC code: MMs00021350

Type: Neutral
Formula: C₁₄H₁₈O₆

SMILES:

O(C(=O)c1ccccc1C(OCCOC)=O)CCOC

InChI:

InChI=1/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1653 kcal/mol

Physical Properties
Molecular Weight: 282.292 g/mol	logS: -2.43362	SlogP: 1.293	Reactive groups: 0

Topological Properties
Globularity: 0.046382	Sterimol/B1: 2.72002	Sterimol/B2: 3.37354	Sterimol/B3: 4.62536
Sterimol/B4: 6.80824	Sterimol/L: 17.2373

Surface and Volume Properties
Accessible surface: 568.442	Positive charged surface: 450.181	Negative charged surface: 118.261	Volume: 268.5
Hydrophobic surface: 502.754	Hydrophilic surface: 65.688

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.