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MMsINC code: MMs01816280

Type: Ionized
Formula: C₁₆H₁₃N₂O₄-

SMILES:

O=C([O-])c1cc(NC(=O)C(=O)NCc2ccccc2)ccc1

InChI:

InChI=1/C16H14N2O4/c19-14(17-10-11-5-2-1-3-6-11)15(20)18-13-8-4-7-12(9-13)16(21)22/h1-9H,10H2,(H,17,19)(H,18,20)(H,21,22)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8397 kcal/mol

Physical Properties
Molecular Weight: 297.29 g/mol	logS: -3.75729	SlogP: 0.5714	Reactive groups: 0

Topological Properties
Globularity: 0.03628	Sterimol/B1: 3.5924	Sterimol/B2: 3.69018	Sterimol/B3: 3.98665
Sterimol/B4: 5.64625	Sterimol/L: 16.9918

Surface and Volume Properties
Accessible surface: 548.956	Positive charged surface: 277.368	Negative charged surface: 271.588	Volume: 276.5
Hydrophobic surface: 357.228	Hydrophilic surface: 191.728

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:

MMs01816279
IBS-ZINC02255610