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ENAMINE-ZINC03505684

 MMsINC code: MMs01479607
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)N(CC2CC2)CCC)C(=O)NC12CCCC2
InChI:   InChI=1/C16H25N3O3/c1-2-9-18(10-12-5-6-12)13(20)11-19-14(21)16(17-15(19)22)7-3-4-8-16/h12H,2-11H2,1H3,(H,17,22)

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Potential Energy
Epot(MMFF94)=29.6589 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.21468  SlogP: 1.4996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775511  Sterimol/B1: 2.27995  Sterimol/B2: 2.87163  Sterimol/B3: 4.39651
  Sterimol/B4: 8.94832  Sterimol/L: 14.3046 
 
 Surface and Volume Properties
  Accessible surface: 576.752  Positive charged surface: 405.012  Negative charged surface: 171.739  Volume: 309.125
  Hydrophobic surface: 401.393  Hydrophilic surface: 175.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.