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PUBCHEM-ZINC06760945

 MMsINC code: MMs03854214
Type: Neutral
Formula: C11H19F2NO4
SMILES:   FC(F)(C(O)(O)C(N)CC1CCCCC1)C(O)=O
InChI:   InChI=1/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=79.8643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.272 g/mol  logS: -2.635  SlogP: 1.1048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103796  Sterimol/B1: 3.20379  Sterimol/B2: 3.29586  Sterimol/B3: 3.89807
  Sterimol/B4: 4.4243  Sterimol/L: 14.3768 
 
 Surface and Volume Properties
  Accessible surface: 448.765  Positive charged surface: 285.959  Negative charged surface: 162.806  Volume: 231.625
  Hydrophobic surface: 218.155  Hydrophilic surface: 230.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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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Ions/Tautomers related molecules


MMs03854215
PUBCHEM-ZINC06760945