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NCID-ZINC01700670

 MMsINC code: MMs02330407
Type: Ionized
Formula: C7H10F7NO
SMILES:   FC(F)(C([O-])C([NH3+])CC)C(F)(F)C(F)(F)F
InChI:   InChI=1/C7H9F7NO/c1-2-3(15)4(16)5(8,9)6(10,11)7(12,13)14/h3-4H,2,15H2,1H3/q-1/p+1/t3-,4+/m1/s1

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Potential Energy
Epot(MMFF94)=18.9972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.149 g/mol  logS: -2.14514  SlogP: 2.8986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117579  Sterimol/B1: 2.50814  Sterimol/B2: 2.75178  Sterimol/B3: 3.95908
  Sterimol/B4: 4.40975  Sterimol/L: 12.4942 
 
 Surface and Volume Properties
  Accessible surface: 379.188  Positive charged surface: 153.355  Negative charged surface: 225.834  Volume: 170.875
  Hydrophobic surface: 112.437  Hydrophilic surface: 266.751
 
 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:


MMs02330406
NCID-ZINC01700670