MMsINC Database Search


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MMsINC code: MMs00745941

Type: Neutral
Formula: C₁₇H₂₀O₄

SMILES:

O(CCOc1ccc(OC)cc1)c1ccc(cc1OC)C

InChI:

InChI=1/C17H20O4/c1-13-4-9-16(17(12-13)19-3)21-11-10-20-15-7-5-14(18-2)6-8-15/h4-9,12H,10-11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9418 kcal/mol

Physical Properties
Molecular Weight: 288.343 g/mol	logS: -3.85466	SlogP: 3.47002	Reactive groups: 0

Topological Properties
Globularity: 0.037838	Sterimol/B1: 3.33965	Sterimol/B2: 3.52264	Sterimol/B3: 3.54625
Sterimol/B4: 6.00692	Sterimol/L: 18.882

Surface and Volume Properties
Accessible surface: 577.688	Positive charged surface: 421.942	Negative charged surface: 155.746	Volume: 290.25
Hydrophobic surface: 550.298	Hydrophilic surface: 27.39

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.