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PUBCHEM-ZINC06482912

 MMsINC code: MMs03759290
Type: Neutral
Formula: C13H25FO3
SMILES:   FC(CCCCCCCCCCOC)C(O)=O
InChI:   InChI=1/C13H25FO3/c1-17-11-9-7-5-3-2-4-6-8-10-12(14)13(15)16/h12H,2-11H2,1H3,(H,15,16)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=17.7751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.338 g/mol  logS: -3.43589  SlogP: 3.9863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187873  Sterimol/B1: 2.56622  Sterimol/B2: 2.77815  Sterimol/B3: 2.83438
  Sterimol/B4: 3.02799  Sterimol/L: 21.5033 
 
 Surface and Volume Properties
  Accessible surface: 561.78  Positive charged surface: 435.585  Negative charged surface: 126.194  Volume: 261.25
  Hydrophobic surface: 419.921  Hydrophilic surface: 141.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03759291
PUBCHEM-ZINC06482912