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ENAMINE-ZINC03463473

 MMsINC code: MMs01458335
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)NCC2CCCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C19H31N3O3/c23-16(20-13-15-9-5-4-6-10-15)14-22-17(24)19(21-18(22)25)11-7-2-1-3-8-12-19/h15H,1-14H2,(H,20,23)(H,21,25)

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Potential Energy
Epot(MMFF94)=87.6535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.88301  SlogP: 2.7178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551391  Sterimol/B1: 3.2745  Sterimol/B2: 3.41021  Sterimol/B3: 4.63978
  Sterimol/B4: 5.12944  Sterimol/L: 18.8572 
 
 Surface and Volume Properties
  Accessible surface: 614.225  Positive charged surface: 460.68  Negative charged surface: 153.545  Volume: 346.25
  Hydrophobic surface: 493.101  Hydrophilic surface: 121.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.