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MMsINC code: MMs02648148

Type: Ionized
Formula: C₁₆H₁₅N₂O₄-

SMILES:

O(C)c1ccccc1Nc1ccc(cc1NC(=O)C)C(=O)[O-]

InChI:

InChI=1/C16H16N2O4/c1-10(19)17-14-9-11(16(20)21)7-8-12(14)18-13-5-3-4-6-15(13)22-2/h3-9,18H,1-2H3,(H,17,19)(H,20,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3669 kcal/mol

Physical Properties
Molecular Weight: 299.306 g/mol	logS: -3.49488	SlogP: 1.7607	Reactive groups: 0

Topological Properties
Globularity: 0.109843	Sterimol/B1: 2.26141	Sterimol/B2: 2.87569	Sterimol/B3: 4.6981
Sterimol/B4: 8.93597	Sterimol/L: 14.2268

Surface and Volume Properties
Accessible surface: 547.816	Positive charged surface: 320.274	Negative charged surface: 227.543	Volume: 283.375
Hydrophobic surface: 402.952	Hydrophilic surface: 144.864

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs02648147
PUBCHEM-ZINC00266809