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MMsINC code: MMs03785016

Type: Neutral
Formula: C₁₇H₁₇NO₄

SMILES:

O(CC(O)=O)c1cc(NC(=O)CCc2ccccc2)ccc1

InChI:

InChI=1/C17H17NO4/c19-16(10-9-13-5-2-1-3-6-13)18-14-7-4-8-15(11-14)22-12-17(20)21/h1-8,11H,9-10,12H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9453 kcal/mol

Physical Properties
Molecular Weight: 299.326 g/mol	logS: -3.34448	SlogP: 2.72127	Reactive groups: 0

Topological Properties
Globularity: 0.0254431	Sterimol/B1: 2.92187	Sterimol/B2: 3.38538	Sterimol/B3: 3.43551
Sterimol/B4: 5.55721	Sterimol/L: 20.0679

Surface and Volume Properties
Accessible surface: 573.625	Positive charged surface: 341.278	Negative charged surface: 232.347	Volume: 286.875
Hydrophobic surface: 417.073	Hydrophilic surface: 156.552

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03785017
PUBCHEM-ZINC06529419