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NCID-ZINC02045206

 MMsINC code: MMs02379656
Type: Neutral
Formula: C15H24N2O4
SMILES:   O(C(=O)C1N(CCC1)C(=O)C1(NC(=O)C)CCCC1)CC
InChI:   InChI=1/C15H24N2O4/c1-3-21-13(19)12-7-6-10-17(12)14(20)15(16-11(2)18)8-4-5-9-15/h12H,3-10H2,1-2H3,(H,16,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=83.765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -2.08073  SlogP: 0.9894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110772  Sterimol/B1: 3.36502  Sterimol/B2: 3.98053  Sterimol/B3: 4.3721
  Sterimol/B4: 5.75388  Sterimol/L: 14.5043 
 
 Surface and Volume Properties
  Accessible surface: 537.395  Positive charged surface: 390.156  Negative charged surface: 147.239  Volume: 290.375
  Hydrophobic surface: 448.736  Hydrophilic surface: 88.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.