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MMsINC code: MMs02401430

Type: Ionized
Formula: C₁₆H₁₅N₂O₃-

SMILES:

O=C([O-])c1ccc(NC(=O)Nc2cc(ccc2C)C)cc1

InChI:

InChI=1/C16H16N2O3/c1-10-3-4-11(2)14(9-10)18-16(21)17-13-7-5-12(6-8-13)15(19)20/h3-9H,1-2H3,(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)=41.137 kcal/mol

Physical Properties
Molecular Weight: 283.307 g/mol	logS: -4.11629	SlogP: 2.31094	Reactive groups: 0

Topological Properties
Globularity: 0.00516932	Sterimol/B1: 2.09808	Sterimol/B2: 2.40273	Sterimol/B3: 2.5195
Sterimol/B4: 7.73247	Sterimol/L: 17.1395

Surface and Volume Properties
Accessible surface: 529.193	Positive charged surface: 280.111	Negative charged surface: 249.082	Volume: 273
Hydrophobic surface: 390.349	Hydrophilic surface: 138.844

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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:

MMs02401429
NCID-ZINC04760463