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MMsINC code: MMs02433098

Type: Ionized
Formula: C₁₁H₁₁N₂O₄-

SMILES:

O(CC)C(=O)N\N=C/c1ccccc1C(=O)[O-]

InChI:

InChI=1/C11H12N2O4/c1-2-17-11(16)13-12-7-8-5-3-4-6-9(8)10(14)15/h3-7H,2H2,1H3,(H,13,16)(H,14,15)/p-1/b12-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6412 kcal/mol

Physical Properties
Molecular Weight: 235.219 g/mol	logS: -2.40413	SlogP: 0.1301	Reactive groups: 0

Topological Properties
Globularity: 0.0632236	Sterimol/B1: 2.91482	Sterimol/B2: 3.75552	Sterimol/B3: 4.54581
Sterimol/B4: 4.80174	Sterimol/L: 14.3297

Surface and Volume Properties
Accessible surface: 460.238	Positive charged surface: 262.647	Negative charged surface: 197.591	Volume: 213.625
Hydrophobic surface: 270.439	Hydrophilic surface: 189.799

Pharmacophoric Properties
Hydrogen bond donors: 1	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:

MMs02433097
NCID-ZINC05049244