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NCID-ZINC01594659

 MMsINC code: MMs02248989
Type: Neutral
Formula: C11H21NO3
SMILES:   O(C(C(NC(=O)CC)C)CC)C(=O)CC
InChI:   InChI=1/C11H21NO3/c1-5-9(15-11(14)7-3)8(4)12-10(13)6-2/h8-9H,5-7H2,1-4H3,(H,12,13)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=21.41 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.293 g/mol  logS: -1.44573  SlogP: 1.6329  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.054276  Sterimol/B1: 2.50016  Sterimol/B2: 3.0116  Sterimol/B3: 3.06641
  Sterimol/B4: 6.64531  Sterimol/L: 15.6582 
 
 Surface and Volume Properties
  Accessible surface: 471.229  Positive charged surface: 335.467  Negative charged surface: 135.761  Volume: 228.75
  Hydrophobic surface: 334.733  Hydrophilic surface: 136.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.