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NCID-ZINC01561756

 MMsINC code: MMs02223870
Type: Ionized
Formula: C6H9FNO3-
SMILES:   FC(CCC)(C(=O)N)C(=O)[O-]
InChI:   InChI=1/C6H10FNO3/c1-2-3-6(7,4(8)9)5(10)11/h2-3H2,1H3,(H2,8,9)(H,10,11)/p-1/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=20.8635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.14 g/mol  logS: -1.49328  SlogP: -0.8501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106271  Sterimol/B1: 2.71645  Sterimol/B2: 3.2167  Sterimol/B3: 3.41244
  Sterimol/B4: 4.39745  Sterimol/L: 9.97402 
 
 Surface and Volume Properties
  Accessible surface: 325.162  Positive charged surface: 181.429  Negative charged surface: 143.734  Volume: 138.25
  Hydrophobic surface: 116.006  Hydrophilic surface: 209.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02223869
NCID-ZINC01561756