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PUBCHEM-ZINC02559238

 MMsINC code: MMs02900951
Type: Ionized
Formula: C10H10NO4-
SMILES:   O(C)c1cc(cc(NC(=O)C)c1)C(=O)[O-]
InChI:   InChI=1/C10H11NO4/c1-6(12)11-8-3-7(10(13)14)4-9(5-8)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.8352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.193 g/mol  logS: -1.87456  SlogP: 0.0171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151586  Sterimol/B1: 2.38875  Sterimol/B2: 2.39014  Sterimol/B3: 4.03584
  Sterimol/B4: 6.26073  Sterimol/L: 12.0512 
 
 Surface and Volume Properties
  Accessible surface: 406.919  Positive charged surface: 236.522  Negative charged surface: 170.397  Volume: 189.5
  Hydrophobic surface: 255.342  Hydrophilic surface: 151.577
 
 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:


MMs02900950
PUBCHEM-ZINC02559238