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APOLLO-ZINC02576668

 MMsINC code: MMs00055093
Type: Neutral
Formula: C10H8ClF3O
SMILES:   ClC(C(C=O)c1ccccc1)C(F)(F)F
InChI:   InChI=1/C10H8ClF3O/c11-9(10(12,13)14)8(6-15)7-4-2-1-3-5-7/h1-6,8-9H/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=59.3996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.62 g/mol  logS: -3.17529  SlogP: 3.9786  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.284288  Sterimol/B1: 3.6471  Sterimol/B2: 3.82544  Sterimol/B3: 4.03704
  Sterimol/B4: 4.17751  Sterimol/L: 10.0545 
 
 Surface and Volume Properties
  Accessible surface: 372.809  Positive charged surface: 147.392  Negative charged surface: 225.418  Volume: 185.375
  Hydrophobic surface: 191.542  Hydrophilic surface: 181.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.