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PUBCHEM-ZINC05157190

 MMsINC code: MMs03213656
Type: Ionized
Formula: C10H10NO4-
SMILES:   OC1C=CC2(CC(NC2=O)C(=O)[O-])C=C1
InChI:   InChI=1/C10H11NO4/c12-6-1-3-10(4-2-6)5-7(8(13)14)11-9(10)15/h1-4,6-7,12H,5H2,(H,11,15)(H,13,14)/p-1/t6-,7-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=39.6265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.193 g/mol  logS: -0.95899  SlogP: -1.9019  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190306  Sterimol/B1: 2.13917  Sterimol/B2: 3.57885  Sterimol/B3: 4.27322
  Sterimol/B4: 5.00583  Sterimol/L: 11.3891 
 
 Surface and Volume Properties
  Accessible surface: 374.03  Positive charged surface: 211.568  Negative charged surface: 162.462  Volume: 182.75
  Hydrophobic surface: 142.427  Hydrophilic surface: 231.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03213655
PUBCHEM-ZINC05157190