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PUBCHEM-ZINC06060849

 MMsINC code: MMs03518221
Type: Neutral
Formula: C15H11FO4
SMILES:   Fc1ccc(cc1)\C=C/C(OC=1C=C(OC(=O)C=1)C)=O
InChI:   InChI=1/C15H11FO4/c1-10-8-13(9-15(18)19-10)20-14(17)7-4-11-2-5-12(16)6-3-11/h2-9H,1H3/b7-4-

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Potential Energy
Epot(MMFF94)=103.278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.247 g/mol  logS: -4.5032  SlogP: 2.7266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716145  Sterimol/B1: 2.74127  Sterimol/B2: 4.21095  Sterimol/B3: 4.45241
  Sterimol/B4: 5.20533  Sterimol/L: 14.3715 
 
 Surface and Volume Properties
  Accessible surface: 487.815  Positive charged surface: 250.777  Negative charged surface: 237.038  Volume: 241.875
  Hydrophobic surface: 403.571  Hydrophilic surface: 84.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.