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PUBCHEM-ZINC01911381

 MMsINC code: MMs02829555
Type: Ionized
Formula: C15H29O2-
SMILES:   O=C([O-])CCCCCCCCCCCC(C)C
InChI:   InChI=1/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)/p-1

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Potential Energy
Epot(MMFF94)=5.33325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.395 g/mol  logS: -6.2386  SlogP: 3.6834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187265  Sterimol/B1: 2.37064  Sterimol/B2: 2.69044  Sterimol/B3: 3.24447
  Sterimol/B4: 4.46647  Sterimol/L: 21.7017 
 
 Surface and Volume Properties
  Accessible surface: 581.764  Positive charged surface: 444.078  Negative charged surface: 137.686  Volume: 284.625
  Hydrophobic surface: 447.204  Hydrophilic surface: 134.56
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs02829554
PUBCHEM-ZINC01911381