MMsINC Database Search


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MMsINC code: MMs03494023

Type: Neutral
Formula: C₁₁H₁₆O₄

SMILES:

O(CC(OC)OC)c1ccc(OC)cc1

InChI:

InChI=1/C11H16O4/c1-12-9-4-6-10(7-5-9)15-8-11(13-2)14-3/h4-7,11H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1596 kcal/mol

Physical Properties
Molecular Weight: 212.245 g/mol	logS: -1.65165	SlogP: 1.6929	Reactive groups: 0

Topological Properties
Globularity: 0.0644243	Sterimol/B1: 2.36783	Sterimol/B2: 3.8836	Sterimol/B3: 4.03816
Sterimol/B4: 4.86556	Sterimol/L: 14.7717

Surface and Volume Properties
Accessible surface: 454.54	Positive charged surface: 362.436	Negative charged surface: 92.1035	Volume: 211.25
Hydrophobic surface: 423.099	Hydrophilic surface: 31.441

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.