MMsINC Database Search


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MMsINC code: MMs00735671

Type: Neutral
Formula: C₁₇H₂₀O₄

SMILES:

O(CCCOc1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4872 kcal/mol

Physical Properties
Molecular Weight: 288.343 g/mol	logS: -3.58251	SlogP: 3.5517	Reactive groups: 0

Topological Properties
Globularity: 0.0075521	Sterimol/B1: 1.96905	Sterimol/B2: 2.37518	Sterimol/B3: 2.37791
Sterimol/B4: 6.65517	Sterimol/L: 19.5258

Surface and Volume Properties
Accessible surface: 589.239	Positive charged surface: 418.21	Negative charged surface: 171.029	Volume: 292.875
Hydrophobic surface: 553.819	Hydrophilic surface: 35.42

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.