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ACROSORGANICS-ZINC00074762

 MMsINC code: MMs00003743
Type: Ionized
Formula: C10H6O4-2
SMILES:   O=C([O-])c1ccc(cc1)\C=C\C(=O)[O-]
InChI:   InChI=1/C10H8O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)(H,13,14)/p-2/b6-3+

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Potential Energy
Epot(MMFF94)=29.9214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.154 g/mol  logS: -2.3504  SlogP: -1.1868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246555  Sterimol/B1: 2.46563  Sterimol/B2: 2.4778  Sterimol/B3: 2.68863
  Sterimol/B4: 5.01134  Sterimol/L: 13.0676 
 
 Surface and Volume Properties
  Accessible surface: 373.529  Positive charged surface: 147.363  Negative charged surface: 226.166  Volume: 168.5
  Hydrophobic surface: 174.778  Hydrophilic surface: 198.751
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:


MMs00003742
ACROSORGANICS-ZINC00074762