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PUBCHEM-ZINC05841956

 MMsINC code: MMs03411267
Type: Ionized
Formula: C14H27O3-
SMILES:   OC(CCCCCCCCCC(=O)[O-])CCC
InChI:   InChI=1/C14H28O3/c1-2-10-13(15)11-8-6-4-3-5-7-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/p-1/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=6.57416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.367 g/mol  logS: -3.75182  SlogP: 2.4082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184149  Sterimol/B1: 2.28176  Sterimol/B2: 2.52366  Sterimol/B3: 2.93438
  Sterimol/B4: 4.02599  Sterimol/L: 21.6883 
 
 Surface and Volume Properties
  Accessible surface: 574.352  Positive charged surface: 428.495  Negative charged surface: 145.856  Volume: 275.5
  Hydrophobic surface: 420.047  Hydrophilic surface: 154.305
 
 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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MMs03411266
PUBCHEM-ZINC05841956