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PUBCHEM-ZINC06179163

 MMsINC code: MMs03584205
Type: Neutral
Formula: C14H21N3O4
SMILES:   O=C1C(C(=O)NC)C(N(C1=O)C1CCCCC1)C(=O)NC
InChI:   InChI=1/C14H21N3O4/c1-15-12(19)9-10(13(20)16-2)17(14(21)11(9)18)8-6-4-3-5-7-8/h8-10H,3-7H2,1-2H3,(H,15,19)(H,16,20)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=30.6864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.339 g/mol  logS: -1.71007  SlogP: -0.7928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115784  Sterimol/B1: 2.31975  Sterimol/B2: 2.95931  Sterimol/B3: 4.79193
  Sterimol/B4: 8.13338  Sterimol/L: 14.5099 
 
 Surface and Volume Properties
  Accessible surface: 519.162  Positive charged surface: 400.197  Negative charged surface: 118.965  Volume: 275
  Hydrophobic surface: 380.257  Hydrophilic surface: 138.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.