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PUBCHEM-ZINC06380559

 MMsINC code: MMs03694502
Type: Neutral
Formula: C13H24O4
SMILES:   O(C(=O)CCCCCCCCC(O)=O)CCC
InChI:   InChI=1/C13H24O4/c1-2-11-17-13(16)10-8-6-4-3-5-7-9-12(14)15/h2-11H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=-0.0227452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -2.75179  SlogP: 3.145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0146034  Sterimol/B1: 2.37517  Sterimol/B2: 2.37575  Sterimol/B3: 2.7313
  Sterimol/B4: 3.46178  Sterimol/L: 21.7673 
 
 Surface and Volume Properties
  Accessible surface: 564.507  Positive charged surface: 420.646  Negative charged surface: 143.861  Volume: 260.125
  Hydrophobic surface: 403.045  Hydrophilic surface: 161.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs03694503
PUBCHEM-ZINC06380559