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ENAMINE-ZINC04515053

 MMsINC code: MMs01544824
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+/m0/s1

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Potential Energy
Epot(MMFF94)=19.933 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: 0.0796175  Sterimol/B1: 2.33451  Sterimol/B2: 2.90129  Sterimol/B3: 4.74054
  Sterimol/B4: 6.6244  Sterimol/L: 14.3092 
 
 Surface and Volume Properties
  Accessible surface: 523.019  Positive charged surface: 365.361  Negative charged surface: 157.658  Volume: 292.75
  Hydrophobic surface: 366.418  Hydrophilic surface: 156.601
 
 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.