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PUBCHEM-ZINC06185616

 MMsINC code: MMs03586628
Type: Neutral
Formula: C9H14F3NO2
SMILES:   FC(F)(F)C(CC1NCCCC1)C(O)=O
InChI:   InChI=1/C9H14F3NO2/c10-9(11,12)7(8(14)15)5-6-3-1-2-4-13-6/h6-7,13H,1-5H2,(H,14,15)/t6-,7-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.69205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.21 g/mol  logS: -1.14871  SlogP: 2.2016  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.191051  Sterimol/B1: 2.49674  Sterimol/B2: 3.19017  Sterimol/B3: 4.15031
  Sterimol/B4: 4.517  Sterimol/L: 11.3531 
 
 Surface and Volume Properties
  Accessible surface: 396.23  Positive charged surface: 238.95  Negative charged surface: 157.28  Volume: 187.5
  Hydrophobic surface: 208.173  Hydrophilic surface: 188.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.