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MMsINC code: MMs02711965

Type: Ionized
Formula: C₁₆H₁₅N₂O₄-

SMILES:

O(CC)c1ccccc1NC(=O)Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C16H16N2O4/c1-2-22-14-6-4-3-5-13(14)18-16(21)17-12-9-7-11(8-10-12)15(19)20/h3-10H,2H2,1H3,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1479 kcal/mol

Physical Properties
Molecular Weight: 299.306 g/mol	logS: -3.85949	SlogP: 2.0928	Reactive groups: 0

Topological Properties
Globularity: 0.00496082	Sterimol/B1: 2.16144	Sterimol/B2: 2.3812	Sterimol/B3: 2.38707
Sterimol/B4: 8.99794	Sterimol/L: 16.5503

Surface and Volume Properties
Accessible surface: 559.81	Positive charged surface: 313.091	Negative charged surface: 246.719	Volume: 282.375
Hydrophobic surface: 393.418	Hydrophilic surface: 166.392

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:

MMs02711964
PUBCHEM-ZINC00609520