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NCID-ZINC01682282

 MMsINC code: MMs02316061
Type: Neutral
Formula: C10H18O6
SMILES:   O(C(=O)C(O)C(O)C(OCCC)=O)CCC
InChI:   InChI=1/C10H18O6/c1-3-5-15-9(13)7(11)8(12)10(14)16-6-4-2/h7-8,11-12H,3-6H2,1-2H3/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=34.3875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.248 g/mol  logS: -1.05976  SlogP: -0.3854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0451181  Sterimol/B1: 2.50004  Sterimol/B2: 2.98099  Sterimol/B3: 3.38797
  Sterimol/B4: 5.23114  Sterimol/L: 16.1117 
 
 Surface and Volume Properties
  Accessible surface: 491.881  Positive charged surface: 344.846  Negative charged surface: 147.035  Volume: 222.125
  Hydrophobic surface: 305.068  Hydrophilic surface: 186.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.