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BACHEM-ZINC02555042

 MMsINC code: MMs00483627
Type: Neutral
Formula: C15H27NO4
SMILES:   O(C(C)(C)C)C(=O)NC(CC1CCCCC1)C(OC)=O
InChI:   InChI=1/C15H27NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h11-12H,5-10H2,1-4H3,(H,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=39.6449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.384 g/mol  logS: -4.23277  SlogP: 3.0231  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118232  Sterimol/B1: 3.54392  Sterimol/B2: 3.94709  Sterimol/B3: 4.73918
  Sterimol/B4: 7.1836  Sterimol/L: 13.512 
 
 Surface and Volume Properties
  Accessible surface: 559.368  Positive charged surface: 429.32  Negative charged surface: 130.048  Volume: 293.625
  Hydrophobic surface: 445.355  Hydrophilic surface: 114.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.