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PUBCHEM-ZINC04786787

 MMsINC code: MMs03171204
Type: Neutral
Formula: C12H20O2
SMILES:   OC(=O)/C/1=C\CCCCCCCCC\1
InChI:   InChI=1/C12H20O2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h9H,1-8,10H2,(H,13,14)/b11-9-

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Potential Energy
Epot(MMFF94)=63.8152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.29 g/mol  logS: -3.93446  SlogP: 3.5219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.389705  Sterimol/B1: 2.55486  Sterimol/B2: 3.21534  Sterimol/B3: 4.14821
  Sterimol/B4: 6.87543  Sterimol/L: 9.30712 
 
 Surface and Volume Properties
  Accessible surface: 386.136  Positive charged surface: 285.049  Negative charged surface: 101.087  Volume: 208.5
  Hydrophobic surface: 309.826  Hydrophilic surface: 76.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03171205
PUBCHEM-ZINC04786787