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CHEMBRIDGE-ZINC02835894

 MMsINC code: MMs00722772
Type: Neutral
Formula: C15H28O5
SMILES:   O(C(C(CCCC(OC)(C)C)C)COC(=O)C)C(=O)C
InChI:   InChI=1/C15H28O5/c1-11(8-7-9-15(4,5)18-6)14(20-13(3)17)10-19-12(2)16/h11,14H,7-10H2,1-6H3/t11-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=60.4799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.384 g/mol  logS: -2.22751  SlogP: 2.7126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476299  Sterimol/B1: 2.15429  Sterimol/B2: 2.61988  Sterimol/B3: 3.90909
  Sterimol/B4: 7.65699  Sterimol/L: 17.1444 
 
 Surface and Volume Properties
  Accessible surface: 590.368  Positive charged surface: 422.836  Negative charged surface: 167.531  Volume: 300.875
  Hydrophobic surface: 460.677  Hydrophilic surface: 129.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.