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MMsINC code: MMs01229745

Type: Ionized
Formula: C₁₁H₁₁N₂O₄-

SMILES:

O=C([O-])c1cc(NC(=O)C)cc(NC(=O)C)c1

InChI:

InChI=1/C11H12N2O4/c1-6(14)12-9-3-8(11(16)17)4-10(5-9)13-7(2)15/h3-5H,1-2H3,(H,12,14)(H,13,15)(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.6387 kcal/mol

Physical Properties
Molecular Weight: 235.219 g/mol	logS: -2.03363	SlogP: -0.0331	Reactive groups: 0

Topological Properties
Globularity: 0.0133312	Sterimol/B1: 2.37844	Sterimol/B2: 2.38012	Sterimol/B3: 2.56133
Sterimol/B4: 8.24053	Sterimol/L: 12.4613

Surface and Volume Properties
Accessible surface: 450.924	Positive charged surface: 237.584	Negative charged surface: 213.34	Volume: 214.875
Hydrophobic surface: 256.891	Hydrophilic surface: 194.033

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:

MMs01229744
ENAMINE-ZINC00393864