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NCID-ZINC05159728

 MMsINC code: MMs02445047
Type: Neutral
Formula: C15H30O3
SMILES:   OC(CCCCCCCCCC(O)=O)CCCC
InChI:   InChI=1/C15H30O3/c1-2-3-11-14(16)12-9-7-5-4-6-8-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=1.01637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.402 g/mol  logS: -4.00659  SlogP: 4.133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180131  Sterimol/B1: 2.44334  Sterimol/B2: 2.97677  Sterimol/B3: 3.08413
  Sterimol/B4: 3.70425  Sterimol/L: 23.1091 
 
 Surface and Volume Properties
  Accessible surface: 609.929  Positive charged surface: 480.17  Negative charged surface: 129.759  Volume: 290.375
  Hydrophobic surface: 450.591  Hydrophilic surface: 159.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02445048
NCID-ZINC05159728