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MAYBRIDGE-ZINC00136657

 MMsINC code: MMs02138458
Type: Ionized
Formula: C7H8O4-2
SMILES:   O=C([O-])C1CCCC1C(=O)[O-]
InChI:   InChI=1/C7H10O4/c8-6(9)4-2-1-3-5(4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/p-2/t4-,5-/m0/s1

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Potential Energy
Epot(MMFF94)=34.2671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.137 g/mol  logS: -0.68368  SlogP: -2.0975  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.454033  Sterimol/B1: 2.44752  Sterimol/B2: 3.45812  Sterimol/B3: 3.70615
  Sterimol/B4: 5.01114  Sterimol/L: 9.49296 
 
 Surface and Volume Properties
  Accessible surface: 311.892  Positive charged surface: 156.96  Negative charged surface: 154.932  Volume: 134.75
  Hydrophobic surface: 150.391  Hydrophilic surface: 161.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs02138457
MAYBRIDGE-ZINC00136657