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CHEMBRIDGE-ZINC02566589

 MMsINC code: MMs00712342
Type: Ionized
Formula: C10H19O3-
SMILES:   O(C(CCCC(C(=O)[O-])C)(C)C)C
InChI:   InChI=1/C10H20O3/c1-8(9(11)12)6-5-7-10(2,3)13-4/h8H,5-7H2,1-4H3,(H,11,12)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=31.7885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.259 g/mol  logS: -1.33289  SlogP: 0.9677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139213  Sterimol/B1: 2.57563  Sterimol/B2: 2.89097  Sterimol/B3: 4.54449
  Sterimol/B4: 4.56393  Sterimol/L: 12.5953 
 
 Surface and Volume Properties
  Accessible surface: 427.449  Positive charged surface: 303.347  Negative charged surface: 124.101  Volume: 202.25
  Hydrophobic surface: 293.701  Hydrophilic surface: 133.748
 
 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:


MMs00712341
CHEMBRIDGE-ZINC02566589