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SIAL-ZINC04789666

 MMsINC code: MMs03925386
Type: Neutral
Formula: C15H28O4
SMILES:   O(C(=O)CCCCCCCCCCCCC(O)=O)C
InChI:   InChI=1/C15H28O4/c1-19-15(18)13-11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-13H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=2.09109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.385 g/mol  logS: -4.28369  SlogP: 3.9252  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0125614  Sterimol/B1: 2.37537  Sterimol/B2: 2.37546  Sterimol/B3: 2.69219
  Sterimol/B4: 3.53367  Sterimol/L: 24.263 
 
 Surface and Volume Properties
  Accessible surface: 625.093  Positive charged surface: 490.129  Negative charged surface: 134.964  Volume: 294.5
  Hydrophobic surface: 482.671  Hydrophilic surface: 142.422
 
 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


MMs03925387
SIAL-ZINC04789666