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APOLLO-ZINC04290160

 MMsINC code: MMs00058741
Type: Neutral
Formula: C7H3F3O2
SMILES:   Fc1c(cc(F)cc1F)C(O)=O
InChI:   InChI=1/C7H3F3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

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Potential Energy
Epot(MMFF94)=13.2533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.093 g/mol  logS: -2.23922  SlogP: 1.8021  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.44949e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09879  Sterimol/B3: 2.90844
  Sterimol/B4: 5.14214  Sterimol/L: 9.84639 
 
 Surface and Volume Properties
  Accessible surface: 303.551  Positive charged surface: 126.512  Negative charged surface: 177.039  Volume: 127.125
  Hydrophobic surface: 211.486  Hydrophilic surface: 92.065
 
 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


MMs00058742
APOLLO-ZINC04290160