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PUBCHEM-ZINC03638520

 MMsINC code: MMs03030465
Type: Ionized
Formula: C10H17O2-
SMILES:   O=C([O-])C(CCC)C1CCCC1
InChI:   InChI=1/C10H18O2/c1-2-5-9(10(11)12)8-6-3-4-7-8/h8-9H,2-7H2,1H3,(H,11,12)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=17.9802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.244 g/mol  logS: -3.24701  SlogP: 1.3428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949977  Sterimol/B1: 2.71235  Sterimol/B2: 3.01354  Sterimol/B3: 3.22176
  Sterimol/B4: 5.55615  Sterimol/L: 12.1295 
 
 Surface and Volume Properties
  Accessible surface: 382.4  Positive charged surface: 267.469  Negative charged surface: 114.93  Volume: 183.875
  Hydrophobic surface: 292.715  Hydrophilic surface: 89.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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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MMs03030464
PUBCHEM-ZINC03638520