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MMsINC code: MMs01716397

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(c1ccc(cc1)C(=O)NCCCOC(C)C)c1ccccc1

InChI:

InChI=1/C19H23NO3/c1-15(2)22-14-6-13-20-19(21)16-9-11-18(12-10-16)23-17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4878 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -4.31255	SlogP: 4.0238	Reactive groups: 0

Topological Properties
Globularity: 0.0411615	Sterimol/B1: 2.4755	Sterimol/B2: 2.91248	Sterimol/B3: 4.65386
Sterimol/B4: 5.48444	Sterimol/L: 21.3622

Surface and Volume Properties
Accessible surface: 635.887	Positive charged surface: 411.318	Negative charged surface: 224.569	Volume: 324.875
Hydrophobic surface: 543.433	Hydrophilic surface: 92.454

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.