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CHEMBLOCK-ZINC00086850

 MMsINC code: MMs00495493
Type: Neutral
Formula: C15H24O3
SMILES:   O1C(C(C)C)C(C)(C)C(=O)C2(CCCCC2)C1=O
InChI:   InChI=1/C15H24O3/c1-10(2)11-14(3,4)12(16)15(13(17)18-11)8-6-5-7-9-15/h10-11H,5-9H2,1-4H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=121.603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.354 g/mol  logS: -3.22419  SlogP: 3.1136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.252572  Sterimol/B1: 2.52803  Sterimol/B2: 2.65764  Sterimol/B3: 4.49745
  Sterimol/B4: 6.10092  Sterimol/L: 11.7619 
 
 Surface and Volume Properties
  Accessible surface: 424.45  Positive charged surface: 291.206  Negative charged surface: 133.244  Volume: 253.75
  Hydrophobic surface: 317.71  Hydrophilic surface: 106.74
 
 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.