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ENAMINE-ZINC03454199

 MMsINC code: MMs01452912
Type: Neutral
Formula: C13H21N3O4
SMILES:   O=C1N(CC(C)C)C(=O)N(CC(=O)NCC(C)C)C1=O
InChI:   InChI=1/C13H21N3O4/c1-8(2)5-14-10(17)7-16-12(19)11(18)15(13(16)20)6-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,17)

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Potential Energy
Epot(MMFF94)=3.81267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.328 g/mol  logS: -1.94988  SlogP: 0.2054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486358  Sterimol/B1: 2.27119  Sterimol/B2: 4.04762  Sterimol/B3: 4.21825
  Sterimol/B4: 4.90669  Sterimol/L: 17.0239 
 
 Surface and Volume Properties
  Accessible surface: 538.588  Positive charged surface: 356.413  Negative charged surface: 182.175  Volume: 273.5
  Hydrophobic surface: 307.553  Hydrophilic surface: 231.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.