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MMsINC code: MMs00733021

Type: Neutral
Formula: C₁₇H₁₇NO₄

SMILES:

O(CC(O)=O)c1ccc(NC(=O)CCc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9194 kcal/mol

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

Topological Properties
Globularity: 0.0258374	Sterimol/B1: 2.86755	Sterimol/B2: 3.07481	Sterimol/B3: 3.29013
Sterimol/B4: 4.323	Sterimol/L: 20.7574

Surface and Volume Properties
Accessible surface: 575.929	Positive charged surface: 342.655	Negative charged surface: 233.274	Volume: 286.75
Hydrophobic surface: 418.717	Hydrophilic surface: 157.212

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

MMs00733022
CHEMBRIDGE-ZINC02879525