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ENAMINE-ZINC03563812

 MMsINC code: MMs01510317
Type: Neutral
Formula: C14H23N3O3
SMILES:   O=C1N(CC(=O)NCCC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C14H23N3O3/c1-3-8-15-11(18)9-17-12(19)14(16-13(17)20)7-5-4-6-10(14)2/h10H,3-9H2,1-2H3,(H,15,18)(H,16,20)/t10-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=18.2385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.356 g/mol  logS: -2.40895  SlogP: 1.0133  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078969  Sterimol/B1: 3.39162  Sterimol/B2: 3.77589  Sterimol/B3: 3.81544
  Sterimol/B4: 5.07914  Sterimol/L: 15.6801 
 
 Surface and Volume Properties
  Accessible surface: 518.186  Positive charged surface: 378.348  Negative charged surface: 139.838  Volume: 273.625
  Hydrophobic surface: 357.687  Hydrophilic surface: 160.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.