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ENAMINE-ZINC03531981

 MMsINC code: MMs01494227
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)N2CCCCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C17H27N3O3/c21-14(19-10-6-1-2-7-11-19)12-20-16(22)15(18-17(20)23)13-8-4-3-5-9-13/h13,15H,1-12H2,(H,18,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=26.5057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.23136  SlogP: 1.8897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740603  Sterimol/B1: 2.5578  Sterimol/B2: 3.14689  Sterimol/B3: 4.85704
  Sterimol/B4: 5.73427  Sterimol/L: 16.2668 
 
 Surface and Volume Properties
  Accessible surface: 565.348  Positive charged surface: 417.469  Negative charged surface: 147.879  Volume: 313.375
  Hydrophobic surface: 451.207  Hydrophilic surface: 114.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.