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CHEMBLOCK-ZINC04026782

 MMsINC code: MMs00541671
Type: Neutral
Formula: C16H26O2
SMILES:   O(CC1CC=C(CC1C)CCC=C(C)C)C(=O)C
InChI:   InChI=1/C16H26O2/c1-12(2)6-5-7-15-8-9-16(13(3)10-15)11-18-14(4)17/h6,8,13,16H,5,7,9-11H2,1-4H3/t13-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=47.4416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.382 g/mol  logS: -3.7156  SlogP: 4.2684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0500013  Sterimol/B1: 2.50303  Sterimol/B2: 2.54116  Sterimol/B3: 3.98079
  Sterimol/B4: 7.34848  Sterimol/L: 16.9646 
 
 Surface and Volume Properties
  Accessible surface: 546.427  Positive charged surface: 384.45  Negative charged surface: 161.978  Volume: 280.625
  Hydrophobic surface: 460.957  Hydrophilic surface: 85.47
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.