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ACROSORGANICS-ZINC03860440

 MMsINC code: MMs00015407
Type: Neutral
Formula: C14H26O4
SMILES:   OC(=O)CCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=-8.22966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.358 g/mol  logS: -3.87136  SlogP: 3.8368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.014561  Sterimol/B1: 2.37496  Sterimol/B2: 2.37581  Sterimol/B3: 2.81633
  Sterimol/B4: 3.67964  Sterimol/L: 22.786 
 
 Surface and Volume Properties
  Accessible surface: 575.093  Positive charged surface: 429.555  Negative charged surface: 145.538  Volume: 275.25
  Hydrophobic surface: 377.688  Hydrophilic surface: 197.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00015408
ACROSORGANICS-ZINC03860440