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ENAMINE-ZINC03259964

 MMsINC code: MMs01336111
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)=10.4117 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: 0.203351  Sterimol/B1: 2.70422  Sterimol/B2: 3.20219  Sterimol/B3: 3.95385
  Sterimol/B4: 4.06779  Sterimol/L: 11.2491 
 
 Surface and Volume Properties
  Accessible surface: 357.986  Positive charged surface: 195.611  Negative charged surface: 162.374  Volume: 161.625
  Hydrophobic surface: 155.233  Hydrophilic surface: 202.753
 
 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:


MMs01336110
ENAMINE-ZINC03259964