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ACROSORGANICS-ZINC02034322

 MMsINC code: MMs00012508
Type: Neutral
Formula: C10H20O
SMILES:   O=C(CCCCCC)CCC
InChI:   InChI=1/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.40706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.91625  SlogP: 3.326  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0303247  Sterimol/B1: 2.37497  Sterimol/B2: 2.37573  Sterimol/B3: 2.77467
  Sterimol/B4: 3.13324  Sterimol/L: 15.9454 
 
 Surface and Volume Properties
  Accessible surface: 425.631  Positive charged surface: 328.981  Negative charged surface: 96.6498  Volume: 189.625
  Hydrophobic surface: 350.865  Hydrophilic surface: 74.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.