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ACROSORGANICS-ZINC05019180

 MMsINC code: MMs00018647
Type: Neutral
Formula: C10H20O
SMILES:   OCCC\C=C/CCCCC
InChI:   InChI=1/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h6-7,11H,2-5,8-10H2,1H3/b7-6-

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Potential Energy
Epot(MMFF94)=21.0827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.269 g/mol  logS: -2.9861  SlogP: 2.8954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464105  Sterimol/B1: 2.37761  Sterimol/B2: 3.01314  Sterimol/B3: 3.16368
  Sterimol/B4: 5.58931  Sterimol/L: 14.6597 
 
 Surface and Volume Properties
  Accessible surface: 434.756  Positive charged surface: 343.528  Negative charged surface: 91.2275  Volume: 190.5
  Hydrophobic surface: 333.387  Hydrophilic surface: 101.369
 
 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.