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NCID-ZINC01563542

 MMsINC code: MMs02225312
Type: Neutral
Formula: C11H16F3NO2
SMILES:   FC(F)(F)C(=O)N1CC(O)CC2C1CCCC2
InChI:   InChI=1/C11H16F3NO2/c12-11(13,14)10(17)15-6-8(16)5-7-3-1-2-4-9(7)15/h7-9,16H,1-6H2/t7-,8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=89.3903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.248 g/mol  logS: -2.23388  SlogP: 2.1206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15773  Sterimol/B1: 2.66533  Sterimol/B2: 3.85463  Sterimol/B3: 4.11036
  Sterimol/B4: 4.73945  Sterimol/L: 10.9663 
 
 Surface and Volume Properties
  Accessible surface: 396.526  Positive charged surface: 250.485  Negative charged surface: 146.04  Volume: 210.125
  Hydrophobic surface: 248.266  Hydrophilic surface: 148.26
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.