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ASINEX-ZINC02893334

 MMsINC code: MMs00280368
Type: Ionized
Formula: C10H6FO4-
SMILES:   Fc1ccc(cc1)C(=O)\C=C(/O)\C(=O)[O-]
InChI:   InChI=1/C10H7FO4/c11-7-3-1-6(2-4-7)8(12)5-9(13)10(14)15/h1-5,13H,(H,14,15)/p-1/b9-5-

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Potential Energy
Epot(MMFF94)=45.2099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.152 g/mol  logS: -2.42096  SlogP: 0.2002  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.034498  Sterimol/B1: 2.68061  Sterimol/B2: 2.73271  Sterimol/B3: 2.94519
  Sterimol/B4: 5.23607  Sterimol/L: 13.0529 
 
 Surface and Volume Properties
  Accessible surface: 378.31  Positive charged surface: 152.367  Negative charged surface: 225.943  Volume: 174.375
  Hydrophobic surface: 219.086  Hydrophilic surface: 159.224
 
 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:


MMs00280364
ASINEX-ZINC02893334