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NCID-ZINC01714625

 MMsINC code: MMs02340739
Type: Ionized
Formula: C10H14O4-2
SMILES:   O=C([O-])C1CC(CCC1)CCC(=O)[O-]
InChI:   InChI=1/C10H16O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)/p-2/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=23.9722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.218 g/mol  logS: -1.91589  SlogP: -0.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181078  Sterimol/B1: 2.55686  Sterimol/B2: 2.83195  Sterimol/B3: 3.90423
  Sterimol/B4: 5.34932  Sterimol/L: 12.6224 
 
 Surface and Volume Properties
  Accessible surface: 386.787  Positive charged surface: 226.288  Negative charged surface: 160.499  Volume: 187.875
  Hydrophobic surface: 207.776  Hydrophilic surface: 179.011
 
 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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MMs02340738
NCID-ZINC01714625