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ENAMINE-ZINC06550211

 MMsINC code: MMs01670992
Type: Ionized
Formula: C11H12NO4-
SMILES:   OCc1ccc(cc1)C(=O)NCCC(=O)[O-]
InChI:   InChI=1/C11H13NO4/c13-7-8-1-3-9(4-2-8)11(16)12-6-5-10(14)15/h1-4,13H,5-7H2,(H,12,16)(H,14,15)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.8597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.22 g/mol  logS: -1.44024  SlogP: -0.6849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0194775  Sterimol/B1: 2.59856  Sterimol/B2: 2.70331  Sterimol/B3: 2.89254
  Sterimol/B4: 4.8456  Sterimol/L: 15.3225 
 
 Surface and Volume Properties
  Accessible surface: 444.396  Positive charged surface: 259.82  Negative charged surface: 184.576  Volume: 207
  Hydrophobic surface: 244.186  Hydrophilic surface: 200.21
 
 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
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Parent related molecule:


MMs01670991
ENAMINE-ZINC06550211