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MMsINC code: MMs02713443

Type: Ionized
Formula: C₁₆H₁₄NO₄-

SMILES:

O(C)c1cc(ccc1)C(=O)Nc1ccc(cc1)CC(=O)[O-]

InChI:

InChI=1/C16H15NO4/c1-21-14-4-2-3-12(10-14)16(20)17-13-7-5-11(6-8-13)9-15(18)19/h2-8,10H,9H2,1H3,(H,17,20)(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9629 kcal/mol

Physical Properties
Molecular Weight: 284.291 g/mol	logS: -3.69657	SlogP: 1.23987	Reactive groups: 0

Topological Properties
Globularity: 0.0254048	Sterimol/B1: 2.52675	Sterimol/B2: 2.86334	Sterimol/B3: 4.06959
Sterimol/B4: 5.09335	Sterimol/L: 17.6818

Surface and Volume Properties
Accessible surface: 527.189	Positive charged surface: 300.485	Negative charged surface: 226.704	Volume: 267
Hydrophobic surface: 391.471	Hydrophilic surface: 135.718

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs02713442
PUBCHEM-ZINC00613936