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ANALYTICONDISCOVERY-ZINC03838933

 MMsINC code: MMs00026294
Type: Neutral
Formula: C14H21N3O3
SMILES:   O=C1N(CC(=O)N2C1C(NC(=O)C1CCCC1)CC2)C
InChI:   InChI=1/C14H21N3O3/c1-16-8-11(18)17-7-6-10(12(17)14(16)20)15-13(19)9-4-2-3-5-9/h9-10,12H,2-8H2,1H3,(H,15,19)/t10-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=85.7569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.34 g/mol  logS: -1.73502  SlogP: -0.2657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698144  Sterimol/B1: 2.35104  Sterimol/B2: 3.398  Sterimol/B3: 3.83117
  Sterimol/B4: 6.50619  Sterimol/L: 15.1779 
 
 Surface and Volume Properties
  Accessible surface: 512.396  Positive charged surface: 396.936  Negative charged surface: 115.46  Volume: 267.125
  Hydrophobic surface: 396.869  Hydrophilic surface: 115.527
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.