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NCID-ZINC01734076

 MMsINC code: MMs02356512
Type: Ionized
Formula: C11H18O4-2
SMILES:   O=C([O-])C(CCCCCC)(CC)C(=O)[O-]
InChI:   InChI=1/C11H20O4/c1-3-5-6-7-8-11(4-2,9(12)13)10(14)15/h3-8H2,1-2H3,(H,12,13)(H,14,15)/p-2

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Potential Energy
Epot(MMFF94)=26.8706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -3.4799  SlogP: -0.147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725046  Sterimol/B1: 3.32099  Sterimol/B2: 3.94706  Sterimol/B3: 3.98965
  Sterimol/B4: 4.05804  Sterimol/L: 14.7628 
 
 Surface and Volume Properties
  Accessible surface: 446.696  Positive charged surface: 281.115  Negative charged surface: 165.581  Volume: 218.75
  Hydrophobic surface: 282.218  Hydrophilic surface: 164.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  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:


MMs02356511
NCID-ZINC01734076