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ENAMINE-ZINC04515057

 MMsINC code: MMs01544825
Type: Neutral
Formula: C15H25N3O3
SMILES:   O=C1N(CC(=O)N(CC)CC)C(=O)NC12CCCCC2C
InChI:   InChI=1/C15H25N3O3/c1-4-17(5-2)12(19)10-18-13(20)15(16-14(18)21)9-7-6-8-11(15)3/h11H,4-10H2,1-3H3,(H,16,21)/t11-,15+/m1/s1

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Potential Energy
Epot(MMFF94)=20.0666 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.383 g/mol  logS: -2.4284  SlogP: 1.3555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806513  Sterimol/B1: 2.36609  Sterimol/B2: 3.079  Sterimol/B3: 4.5235
  Sterimol/B4: 6.61393  Sterimol/L: 14.2779 
 
 Surface and Volume Properties
  Accessible surface: 518.676  Positive charged surface: 370.797  Negative charged surface: 147.879  Volume: 292.75
  Hydrophobic surface: 365.277  Hydrophilic surface: 153.399
 
 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.