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PUBCHEM-ZINC05972841

 MMsINC code: MMs03468366
Type: Ionized
Formula: C11H17O4-
SMILES:   OC1CCC(CC1C(=O)[O-])C(=O)CCC
InChI:   InChI=1/C11H18O4/c1-2-3-9(12)7-4-5-10(13)8(6-7)11(14)15/h7-8,10,13H,2-6H2,1H3,(H,14,15)/p-1/t7-,8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=5.2001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.253 g/mol  logS: -0.9671  SlogP: -0.1173  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0651619  Sterimol/B1: 2.63583  Sterimol/B2: 3.22508  Sterimol/B3: 4.26552
  Sterimol/B4: 4.85337  Sterimol/L: 13.416 
 
 Surface and Volume Properties
  Accessible surface: 424.434  Positive charged surface: 282.502  Negative charged surface: 141.933  Volume: 208.875
  Hydrophobic surface: 262.147  Hydrophilic surface: 162.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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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MMs03468365
PUBCHEM-ZINC05972841