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MMsINC code: MMs00236046

Type: Ionized
Formula: C₁₅H₁₅N₂O₄-

SMILES:

O=C(Nc1ccccc1C(=O)N)C=1CCCCC=1C(=O)[O-]

InChI:

InChI=1/C15H16N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-8H,1-2,5-6H2,(H2,16,18)(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)=11.2381 kcal/mol

Physical Properties
Molecular Weight: 287.295 g/mol	logS: -3.5635	SlogP: 0.3445	Reactive groups: 0

Topological Properties
Globularity: 0.0947763	Sterimol/B1: 3.4483	Sterimol/B2: 3.77182	Sterimol/B3: 4.54245
Sterimol/B4: 5.60354	Sterimol/L: 14.3832

Surface and Volume Properties
Accessible surface: 488.12	Positive charged surface: 290.032	Negative charged surface: 198.088	Volume: 259.875
Hydrophobic surface: 318.846	Hydrophilic surface: 169.274

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

search links for this molecule:

Parent related molecule:

MMs00236045
ASINEX-ZINC01328093