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ACROSORGANICS-ZINC03861298

 MMsINC code: MMs00015825
Type: Neutral
Formula: C16H30O4
SMILES:   OC(=O)CCCCCCCCCCCCCCC(O)=O
InChI:   InChI=1/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

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Potential Energy
Epot(MMFF94)=-8.22626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.412 g/mol  logS: -4.9018  SlogP: 4.617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117283  Sterimol/B1: 2.37504  Sterimol/B2: 2.37594  Sterimol/B3: 2.81097
  Sterimol/B4: 3.71109  Sterimol/L: 25.2816 
 
 Surface and Volume Properties
  Accessible surface: 636.302  Positive charged surface: 483.921  Negative charged surface: 152.381  Volume: 313.125
  Hydrophobic surface: 439.942  Hydrophilic surface: 196.36
 
 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: 0
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Ions/Tautomers related molecules


MMs00015826
ACROSORGANICS-ZINC03861298