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ENAMINE-ZINC03463555

 MMsINC code: MMs01458372
Type: Neutral
Formula: C18H29N3O3
SMILES:   O=C1N(CC(=O)NC2CCCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C18H29N3O3/c22-15(19-14-9-5-4-6-10-14)13-21-16(23)18(20-17(21)24)11-7-2-1-3-8-12-18/h14H,1-13H2,(H,19,22)(H,20,24)

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Potential Energy
Epot(MMFF94)=86.2405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.448 g/mol  logS: -4.17978  SlogP: 2.4702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0750829  Sterimol/B1: 3.36354  Sterimol/B2: 3.48365  Sterimol/B3: 4.60607
  Sterimol/B4: 5.93954  Sterimol/L: 16.8624 
 
 Surface and Volume Properties
  Accessible surface: 582.166  Positive charged surface: 433.768  Negative charged surface: 148.397  Volume: 325.125
  Hydrophobic surface: 462.183  Hydrophilic surface: 119.983
 
 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.