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NCID-ZINC01726419

 MMsINC code: MMs02350111
Type: Neutral
Formula: C6H11FO2
SMILES:   FC(CC)C(OCC)=O
InChI:   InChI=1/C6H11FO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3/t5-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.15 g/mol  logS: -1.17859  SlogP: 1.7175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705745  Sterimol/B1: 2.51577  Sterimol/B2: 2.64394  Sterimol/B3: 3.60291
  Sterimol/B4: 3.76346  Sterimol/L: 11.8702 
 
 Surface and Volume Properties
  Accessible surface: 336.661  Positive charged surface: 224.583  Negative charged surface: 112.078  Volume: 132.25
  Hydrophobic surface: 217.828  Hydrophilic surface: 118.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.