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CHEMBLOCK-ZINC03188843

 MMsINC code: MMs00537664
Type: Neutral
Formula: C9H11F6NO
SMILES:   FC(F)(F)C(C(=O)N1CCCCC1)C(F)(F)F
InChI:   InChI=1/C9H11F6NO/c10-8(11,12)6(9(13,14)15)7(17)16-4-2-1-3-5-16/h6H,1-5H2

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Potential Energy
Epot(MMFF94)=-13.0164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.181 g/mol  logS: -2.33373  SlogP: 3.5795  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.161889  Sterimol/B1: 3.36658  Sterimol/B2: 3.36902  Sterimol/B3: 3.62681
  Sterimol/B4: 4.27892  Sterimol/L: 11.1518 
 
 Surface and Volume Properties
  Accessible surface: 386.279  Positive charged surface: 184.753  Negative charged surface: 201.526  Volume: 190.625
  Hydrophobic surface: 199.02  Hydrophilic surface: 187.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.