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ALFAAESAR-ZINC02560187

 MMsINC code: MMs00023693
Type: Neutral
Formula: C10H6F4O2
SMILES:   Fc1ccc(cc1\C=C\C(O)=O)C(F)(F)F
InChI:   InChI=1/C10H6F4O2/c11-8-3-2-7(10(12,13)14)5-6(8)1-4-9(15)16/h1-5H,(H,15,16)/b4-1+

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Potential Energy
Epot(MMFF94)=41.6198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.148 g/mol  logS: -3.21163  SlogP: 3.2538  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0155914  Sterimol/B1: 2.63769  Sterimol/B2: 2.63944  Sterimol/B3: 4.00337
  Sterimol/B4: 4.71801  Sterimol/L: 12.2506 
 
 Surface and Volume Properties
  Accessible surface: 391.96  Positive charged surface: 131.677  Negative charged surface: 260.283  Volume: 178.625
  Hydrophobic surface: 186.132  Hydrophilic surface: 205.828
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00023694
ALFAAESAR-ZINC02560187