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ACROSORGANICS-ZINC01531045

 MMsINC code: MMs00008966
Type: Neutral
Formula: C10H18O4
SMILES:   OC(=O)CCCCCCCCC(O)=O
InChI:   InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=-8.21657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.25 g/mol  logS: -1.81048  SlogP: 2.2764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0239957  Sterimol/B1: 2.37495  Sterimol/B2: 2.37595  Sterimol/B3: 2.78924
  Sterimol/B4: 3.63557  Sterimol/L: 17.7972 
 
 Surface and Volume Properties
  Accessible surface: 454.238  Positive charged surface: 323.356  Negative charged surface: 130.881  Volume: 204.125
  Hydrophobic surface: 256.832  Hydrophilic surface: 197.406
 
 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


MMs00008967
ACROSORGANICS-ZINC01531045