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ENAMINE-ZINC04475609

 MMsINC code: MMs01540074
Type: Neutral
Formula: C17H28N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC1(CCC)CCC
InChI:   InChI=1/C17H28N4O4/c1-3-9-17(10-4-2)14(23)21(16(25)20-17)11-13(22)19-15(24)18-12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,20,25)(H2,18,19,22,24)

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Potential Energy
Epot(MMFF94)=7.68558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.435 g/mol  logS: -3.47991  SlogP: 1.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470799  Sterimol/B1: 2.5203  Sterimol/B2: 3.32503  Sterimol/B3: 4.58816
  Sterimol/B4: 8.38409  Sterimol/L: 18.4566 
 
 Surface and Volume Properties
  Accessible surface: 633.139  Positive charged surface: 454.184  Negative charged surface: 178.955  Volume: 342.375
  Hydrophobic surface: 427.198  Hydrophilic surface: 205.941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.