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PUBCHEM-ZINC06616441

 MMsINC code: MMs03821699
Type: Ionized
Formula: C6H11FNO2-
SMILES:   FC(N)(CC(C)C)C(=O)[O-]
InChI:   InChI=1/C6H12FNO2/c1-4(2)3-6(7,8)5(9)10/h4H,3,8H2,1-2H3,(H,9,10)/p-1/t6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.2628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.157 g/mol  logS: -1.47726  SlogP: -0.1732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13381  Sterimol/B1: 2.71847  Sterimol/B2: 3.02112  Sterimol/B3: 3.27435
  Sterimol/B4: 4.48447  Sterimol/L: 10.4034 
 
 Surface and Volume Properties
  Accessible surface: 319.345  Positive charged surface: 186.829  Negative charged surface: 132.516  Volume: 137.75
  Hydrophobic surface: 135.291  Hydrophilic surface: 184.054
 
 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:


MMs03821698
PUBCHEM-ZINC06616441