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ENAMINE-ZINC03487464

 MMsINC code: MMs01469268
Type: Neutral
Formula: C14H25N3O3
SMILES:   O=C1N(CC(=O)NC(CC)CC)C(=O)NC1CC(C)C
InChI:   InChI=1/C14H25N3O3/c1-5-10(6-2)15-12(18)8-17-13(19)11(7-9(3)4)16-14(17)20/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=17.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.372 g/mol  logS: -2.82444  SlogP: 1.2577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.128928  Sterimol/B1: 2.18095  Sterimol/B2: 3.46973  Sterimol/B3: 5.72542
  Sterimol/B4: 6.23711  Sterimol/L: 14.2594 
 
 Surface and Volume Properties
  Accessible surface: 544.78  Positive charged surface: 390.57  Negative charged surface: 154.211  Volume: 285.625
  Hydrophobic surface: 339.417  Hydrophilic surface: 205.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.