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PUBCHEM-ZINC06482271

 MMsINC code: MMs03758619
Type: Neutral
Formula: C6H10F3NO3
SMILES:   FC(F)(F)C(N)C(O)CC(OC)=O
InChI:   InChI=1/C6H10F3NO3/c1-13-4(12)2-3(11)5(10)6(7,8)9/h3,5,11H,2,10H2,1H3/t3-,5+/m0/s1

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Potential Energy
Epot(MMFF94)=56.8681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.144 g/mol  logS: -0.45244  SlogP: 0.2199  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.101158  Sterimol/B1: 3.08362  Sterimol/B2: 3.16124  Sterimol/B3: 3.41481
  Sterimol/B4: 3.59493  Sterimol/L: 12.3578 
 
 Surface and Volume Properties
  Accessible surface: 358.61  Positive charged surface: 207.483  Negative charged surface: 151.128  Volume: 155.125
  Hydrophobic surface: 148.927  Hydrophilic surface: 209.683
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.