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NCID-ZINC01688342

 MMsINC code: MMs02320938
Type: Neutral
Formula: C11H22O4
SMILES:   O(C(=O)C(O)C)CCOCCCCCC
InChI:   InChI=1/C11H22O4/c1-3-4-5-6-7-14-8-9-15-11(13)10(2)12/h10,12H,3-9H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=32.4015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.293 g/mol  logS: -2.34066  SlogP: 1.5073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042643  Sterimol/B1: 2.55263  Sterimol/B2: 2.87333  Sterimol/B3: 3.47354
  Sterimol/B4: 5.88719  Sterimol/L: 16.9226 
 
 Surface and Volume Properties
  Accessible surface: 517.516  Positive charged surface: 407.013  Negative charged surface: 110.503  Volume: 232.25
  Hydrophobic surface: 384.258  Hydrophilic surface: 133.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.