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ENAMINE-ZINC03546331

 MMsINC code: MMs01501011
Type: Neutral
Formula: C16H22N4O5
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(=O)NC2CCCC2)C1=O
InChI:   InChI=1/C16H22N4O5/c21-12(18-15(24)17-10-5-1-2-6-10)9-19-13(22)14(23)20(16(19)25)11-7-3-4-8-11/h10-11H,1-9H2,(H2,17,18,21,24)

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Potential Energy
Epot(MMFF94)=12.5683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.375 g/mol  logS: -2.62875  SlogP: 0.4882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376972  Sterimol/B1: 2.51421  Sterimol/B2: 3.36854  Sterimol/B3: 4.01337
  Sterimol/B4: 6.05499  Sterimol/L: 19.1982 
 
 Surface and Volume Properties
  Accessible surface: 602.241  Positive charged surface: 416.962  Negative charged surface: 185.278  Volume: 315.375
  Hydrophobic surface: 401.312  Hydrophilic surface: 200.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.