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NCID-ZINC01740872

 MMsINC code: MMs02359332
Type: Neutral
Formula: C15H24O3
SMILES:   O1CC\C(=C/CCCCCCCCC2OC2)\C1=O
InChI:   InChI=1/C15H24O3/c16-15-13(10-11-17-15)8-6-4-2-1-3-5-7-9-14-12-18-14/h8,14H,1-7,9-12H2/b13-8+/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=23.2566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.354 g/mol  logS: -4.01137  SlogP: 3.3793  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0295316  Sterimol/B1: 2.48084  Sterimol/B2: 2.99864  Sterimol/B3: 3.33991
  Sterimol/B4: 4.86712  Sterimol/L: 19.5825 
 
 Surface and Volume Properties
  Accessible surface: 556.349  Positive charged surface: 391.162  Negative charged surface: 165.187  Volume: 271.75
  Hydrophobic surface: 450.104  Hydrophilic surface: 106.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.