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ACROSORGANICS-ZINC01529497

 MMsINC code: MMs00008863
Type: Neutral
Formula: C12H22O4
SMILES:   OC(=O)CCCCCCCCCCC(O)=O
InChI:   InChI=1/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=-8.21414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.304 g/mol  logS: -2.84092  SlogP: 3.0566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184736  Sterimol/B1: 2.37496  Sterimol/B2: 2.37585  Sterimol/B3: 2.77675
  Sterimol/B4: 3.68706  Sterimol/L: 20.2907 
 
 Surface and Volume Properties
  Accessible surface: 514.888  Positive charged surface: 377.164  Negative charged surface: 137.724  Volume: 241.375
  Hydrophobic surface: 319.086  Hydrophilic surface: 195.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules


MMs00008864
ACROSORGANICS-ZINC01529497