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PUBCHEM-ZINC06385613

 MMsINC code: MMs03699840
Type: Neutral
Formula: C13H24O4
SMILES:   O(C(=O)CCCCCCCCCC(O)=O)CC
InChI:   InChI=1/C13H24O4/c1-2-17-13(16)11-9-7-5-3-4-6-8-10-12(14)15/h2-11H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=-0.142748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -3.06524  SlogP: 3.145  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0150322  Sterimol/B1: 2.37495  Sterimol/B2: 2.37584  Sterimol/B3: 2.44883
  Sterimol/B4: 3.61303  Sterimol/L: 21.7341 
 
 Surface and Volume Properties
  Accessible surface: 555.019  Positive charged surface: 418.969  Negative charged surface: 136.05  Volume: 260.5
  Hydrophobic surface: 393.717  Hydrophilic surface: 161.302
 
 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


MMs03699841
PUBCHEM-ZINC06385613