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NCID-ZINC05159728

 MMsINC code: MMs02445048
Type: Ionized
Formula: C15H29O3-
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)/p-1/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=6.38347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.394 g/mol  logS: -4.26704  SlogP: 2.7983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0164474  Sterimol/B1: 2.45374  Sterimol/B2: 3.00554  Sterimol/B3: 3.21181
  Sterimol/B4: 3.25158  Sterimol/L: 22.929 
 
 Surface and Volume Properties
  Accessible surface: 600.989  Positive charged surface: 453.69  Negative charged surface: 147.299  Volume: 291.25
  Hydrophobic surface: 446.432  Hydrophilic surface: 154.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02445047
NCID-ZINC05159728