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NCID-ZINC01700671

 MMsINC code: MMs02330409
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+/m0/s1

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Potential Energy
Epot(MMFF94)=18.9967 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: 0.117592  Sterimol/B1: 2.50843  Sterimol/B2: 2.75133  Sterimol/B3: 3.96
  Sterimol/B4: 4.40881  Sterimol/L: 12.4943 
 
 Surface and Volume Properties
  Accessible surface: 376.496  Positive charged surface: 150.724  Negative charged surface: 225.772  Volume: 171
  Hydrophobic surface: 113.133  Hydrophilic surface: 263.363
 
 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:


MMs02330408
NCID-ZINC01700671