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PUBCHEM-ZINC03606174

 MMsINC code: MMs03020291
Type: Ionized
Formula: C11H20F2N2O2
SMILES:   FC(F)(C([O-])C([NH3+])CC1CCCCC1)C(=O)N
InChI:   InChI=1/C11H19F2N2O2/c12-11(13,10(15)17)9(16)8(14)6-7-4-2-1-3-5-7/h7-9H,1-6,14H2,(H2,15,17)/q-1/p+1/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=20.6099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.289 g/mol  logS: -3.11143  SlogP: 0.9069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907123  Sterimol/B1: 2.62465  Sterimol/B2: 3.4859  Sterimol/B3: 4.05719
  Sterimol/B4: 4.28957  Sterimol/L: 14.4334 
 
 Surface and Volume Properties
  Accessible surface: 452.55  Positive charged surface: 311.028  Negative charged surface: 141.522  Volume: 228.625
  Hydrophobic surface: 246.039  Hydrophilic surface: 206.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs03020290
PUBCHEM-ZINC03606174