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ENAMINE-ZINC06786650

 MMsINC code: MMs01696718
Type: Neutral
Formula: C16H27N5O4
SMILES:   O=C1N(C)C(=O)N(CCC)C(N)=C1C(=O)CN(CC(=O)NCCC)C
InChI:   InChI=1/C16H27N5O4/c1-5-7-18-12(23)10-19(3)9-11(22)13-14(17)21(8-6-2)16(25)20(4)15(13)24/h5-10,17H2,1-4H3,(H,18,23)

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Potential Energy
Epot(MMFF94)=53.8599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.423 g/mol  logS: -1.71655  SlogP: -0.5122  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0239142  Sterimol/B1: 2.49135  Sterimol/B2: 3.76506  Sterimol/B3: 4.24642
  Sterimol/B4: 6.34444  Sterimol/L: 20.9896 
 
 Surface and Volume Properties
  Accessible surface: 641.918  Positive charged surface: 510.544  Negative charged surface: 131.374  Volume: 339.125
  Hydrophobic surface: 436.244  Hydrophilic surface: 205.674
 
 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.