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CHEMBRIDGE-ZINC00528719

 MMsINC code: MMs00631180
Type: Neutral
Formula: C9H15F3N2O
SMILES:   FC(F)(F)CNC(=O)NC1CCCCC1
InChI:   InChI=1/C9H15F3N2O/c10-9(11,12)6-13-8(15)14-7-4-2-1-3-5-7/h7H,1-6H2,(H2,13,14,15)

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Potential Energy
Epot(MMFF94)=2.37153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.226 g/mol  logS: -2.15846  SlogP: 2.6005  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0646616  Sterimol/B1: 2.82677  Sterimol/B2: 3.31695  Sterimol/B3: 3.53457
  Sterimol/B4: 3.94593  Sterimol/L: 14.0533 
 
 Surface and Volume Properties
  Accessible surface: 423.663  Positive charged surface: 258.957  Negative charged surface: 164.706  Volume: 193.625
  Hydrophobic surface: 252.097  Hydrophilic surface: 171.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.