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CHEMBLOCK-ZINC04494419

 MMsINC code: MMs00554338
Type: Neutral
Formula: C11H9FO4
SMILES:   Fc1ccc(cc1)C(=O)\C=C(/O)\C(OC)=O
InChI:   InChI=1/C11H9FO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-6,14H,1H3/b10-6+

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Potential Energy
Epot(MMFF94)=66.2529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.187 g/mol  logS: -2.57284  SlogP: 1.6233  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0193714  Sterimol/B1: 2.38812  Sterimol/B2: 2.64109  Sterimol/B3: 3.5415
  Sterimol/B4: 6.2351  Sterimol/L: 13.5395 
 
 Surface and Volume Properties
  Accessible surface: 416.773  Positive charged surface: 230.865  Negative charged surface: 185.908  Volume: 196.375
  Hydrophobic surface: 307.56  Hydrophilic surface: 109.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.