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ENAMINE-ZINC00126125

 MMsINC code: MMs01224694
Type: Ionized
Formula: C10H10NO4-
SMILES:   O(C)c1cc(ccc1)C(=O)NCC(=O)[O-]
InChI:   InChI=1/C10H11NO4/c1-15-8-4-2-3-7(5-8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.6023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.193 g/mol  logS: -1.83768  SlogP: -0.8251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223972  Sterimol/B1: 2.36428  Sterimol/B2: 2.84367  Sterimol/B3: 3.12674
  Sterimol/B4: 5.03479  Sterimol/L: 14.766 
 
 Surface and Volume Properties
  Accessible surface: 418.037  Positive charged surface: 250.904  Negative charged surface: 167.134  Volume: 189.625
  Hydrophobic surface: 270.236  Hydrophilic surface: 147.801
 
 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
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Parent related molecule:


MMs01224693
ENAMINE-ZINC00126125