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ACROSORGANICS-ZINC01699882

 MMsINC code: MMs00011326
Type: Neutral
Formula: C6H14O
SMILES:   OCCCCCC
InChI:   InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

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Potential Energy
Epot(MMFF94)=-0.238865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.177 g/mol  logS: -1.46264  SlogP: 1.559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670558  Sterimol/B1: 1.48525  Sterimol/B2: 1.79553  Sterimol/B3: 3.26562
  Sterimol/B4: 3.54516  Sterimol/L: 11.9041 
 
 Surface and Volume Properties
  Accessible surface: 316.581  Positive charged surface: 253.902  Negative charged surface: 62.6797  Volume: 128
  Hydrophobic surface: 240.922  Hydrophilic surface: 75.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.