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ACROSORGANICS-ZINC02509833

 MMsINC code: MMs00013718
Type: Neutral
Formula: C11H24O3
SMILES:   O(C(OC)CC(O)CCCCCC)C
InChI:   InChI=1/C11H24O3/c1-4-5-6-7-8-10(12)9-11(13-2)14-3/h10-12H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=26.3993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.31 g/mol  logS: -2.34564  SlogP: 2.3267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382077  Sterimol/B1: 2.6178  Sterimol/B2: 3.51206  Sterimol/B3: 3.82725
  Sterimol/B4: 3.83168  Sterimol/L: 16.8113 
 
 Surface and Volume Properties
  Accessible surface: 486.168  Positive charged surface: 415.538  Negative charged surface: 70.6301  Volume: 228.75
  Hydrophobic surface: 416.146  Hydrophilic surface: 70.022
 
 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.