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PUBCHEM-ZINC06482934

 MMsINC code: MMs03759314
Type: Neutral
Formula: C13H26O4
SMILES:   O(CCCCCCCCCC(O)CC(O)=O)C
InChI:   InChI=1/C13H26O4/c1-17-10-8-6-4-2-3-5-7-9-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=9.74992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.347 g/mol  logS: -2.27636  SlogP: 2.5892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0201551  Sterimol/B1: 2.57982  Sterimol/B2: 2.82698  Sterimol/B3: 3.16448
  Sterimol/B4: 3.21045  Sterimol/L: 21.6978 
 
 Surface and Volume Properties
  Accessible surface: 561.586  Positive charged surface: 454.478  Negative charged surface: 107.108  Volume: 266.375
  Hydrophobic surface: 419.602  Hydrophilic surface: 141.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03759315
PUBCHEM-ZINC06482934