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CHEMDIV-ZINC00449092

 MMsINC code: MMs00853651
Type: Ionized
Formula: C11H17O4-
SMILES:   O(C(=O)C(C(=O)[O-])C1CCCCC1)CC
InChI:   InChI=1/C11H18O4/c1-2-15-11(14)9(10(12)13)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,12,13)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=1.57636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.253 g/mol  logS: -3.13996  SlogP: 0.4959  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737957  Sterimol/B1: 2.54152  Sterimol/B2: 3.72269  Sterimol/B3: 3.84618
  Sterimol/B4: 4.98252  Sterimol/L: 13.6647 
 
 Surface and Volume Properties
  Accessible surface: 430.608  Positive charged surface: 293.895  Negative charged surface: 136.713  Volume: 208.25
  Hydrophobic surface: 309.331  Hydrophilic surface: 121.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:


MMs00853650
CHEMDIV-ZINC00449092