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ENAMINE-ZINC03259961

 MMsINC code: MMs01336107
Type: Ionized
Formula: C7H14F3NO
SMILES:   FC(F)(F)C([O-])C([NH3+])CC(C)C
InChI:   InChI=1/C7H13F3NO/c1-4(2)3-5(11)6(12)7(8,9)10/h4-6H,3,11H2,1-2H3/q-1/p+1/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=28.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.189 g/mol  logS: -1.7689  SlogP: 1.4243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176077  Sterimol/B1: 2.88697  Sterimol/B2: 3.04295  Sterimol/B3: 3.86377
  Sterimol/B4: 4.25308  Sterimol/L: 11.3895 
 
 Surface and Volume Properties
  Accessible surface: 356.021  Positive charged surface: 195.47  Negative charged surface: 160.552  Volume: 162.5
  Hydrophobic surface: 155.769  Hydrophilic surface: 200.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  Basic groups: 1
  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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Parent related molecule:


MMs01336106
ENAMINE-ZINC03259961