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NCID-ZINC05004272

 MMsINC code: MMs02426514
Type: Neutral
Formula: C15H25NO5
SMILES:   O=C1CC(C(=O)N)(C)C(C(OCC)=O)C(C1)CCCCO
InChI:   InChI=1/C15H25NO5/c1-3-21-13(19)12-10(6-4-5-7-17)8-11(18)9-15(12,2)14(16)20/h10,12,17H,3-9H2,1-2H3,(H2,16,20)/t10-,12+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=54.6391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.367 g/mol  logS: -1.35579  SlogP: 0.799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124345  Sterimol/B1: 2.48094  Sterimol/B2: 3.37851  Sterimol/B3: 4.394
  Sterimol/B4: 8.35354  Sterimol/L: 15.2173 
 
 Surface and Volume Properties
  Accessible surface: 531.842  Positive charged surface: 377.582  Negative charged surface: 154.259  Volume: 288.5
  Hydrophobic surface: 304.716  Hydrophilic surface: 227.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.