MMsINC Database Search


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MMsINC code: MMs00696898

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(CCCC(=O)Nc1ccc(OCC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H23NO4/c1-3-23-17-8-6-15(7-9-17)20-19(21)5-4-14-24-18-12-10-16(22-2)11-13-18/h6-13H,3-5,14H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7793 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.94335	SlogP: 3.8916	Reactive groups: 0

Topological Properties
Globularity: 0.00919954	Sterimol/B1: 2.64693	Sterimol/B2: 2.98801	Sterimol/B3: 3.99243
Sterimol/B4: 4.34889	Sterimol/L: 23.918

Surface and Volume Properties
Accessible surface: 648.705	Positive charged surface: 458.427	Negative charged surface: 190.279	Volume: 332
Hydrophobic surface: 558.974	Hydrophilic surface: 89.731

Pharmacophoric Properties
Hydrogen bond donors: 1	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.