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ENAMINE-ZINC03531978

 MMsINC code: MMs01494225
Type: Neutral
Formula: C15H23N3O4
SMILES:   O1CCN(CC1)C(=O)CN1C(=O)C(NC1=O)C1CCCCC1
InChI:   InChI=1/C15H23N3O4/c19-12(17-6-8-22-9-7-17)10-18-14(20)13(16-15(18)21)11-4-2-1-3-5-11/h11,13H,1-10H2,(H,16,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=37.2863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -2.56692  SlogP: 0.3459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825292  Sterimol/B1: 2.74791  Sterimol/B2: 3.55062  Sterimol/B3: 3.79635
  Sterimol/B4: 5.49576  Sterimol/L: 15.3888 
 
 Surface and Volume Properties
  Accessible surface: 532.715  Positive charged surface: 415.358  Negative charged surface: 117.357  Volume: 290.25
  Hydrophobic surface: 398.873  Hydrophilic surface: 133.842
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.