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ENAMINE-ZINC04515887

 MMsINC code: MMs01545031
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)N(CC)C2CCCCC2)C(=O)NC12CCCCC2C
InChI:   InChI=1/C19H31N3O3/c1-3-21(15-10-5-4-6-11-15)16(23)13-22-17(24)19(20-18(22)25)12-8-7-9-14(19)2/h14-15H,3-13H2,1-2H3,(H,20,25)/t14-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=38.496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -3.57233  SlogP: 2.6683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106473  Sterimol/B1: 2.44379  Sterimol/B2: 3.45386  Sterimol/B3: 4.40052
  Sterimol/B4: 8.27631  Sterimol/L: 14.6899 
 
 Surface and Volume Properties
  Accessible surface: 589.664  Positive charged surface: 440.297  Negative charged surface: 149.366  Volume: 350.625
  Hydrophobic surface: 471.636  Hydrophilic surface: 118.028
 
 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.