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PUBCHEM-ZINC05973138

 MMsINC code: MMs03468630
Type: Neutral
Formula: C10H19FO2
SMILES:   FC(CCCCCC)CCC(O)=O
InChI:   InChI=1/C10H19FO2/c1-2-3-4-5-6-9(11)7-8-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=-3.03891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.258 g/mol  logS: -2.58362  SlogP: 3.5796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303671  Sterimol/B1: 2.41184  Sterimol/B2: 2.52196  Sterimol/B3: 2.86504
  Sterimol/B4: 3.48503  Sterimol/L: 16.8721 
 
 Surface and Volume Properties
  Accessible surface: 447.888  Positive charged surface: 324.307  Negative charged surface: 123.581  Volume: 200.125
  Hydrophobic surface: 299.432  Hydrophilic surface: 148.456
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03468631
PUBCHEM-ZINC05973138