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NCID-ZINC01696334

 MMsINC code: MMs02327113
Type: Neutral
Formula: C13H24N4O2
SMILES:   O=C1N(CC)C(=O)N(CCC)C(N)=C1NCCCC
InChI:   InChI=1/C13H24N4O2/c1-4-7-8-15-10-11(14)17(9-5-2)13(19)16(6-3)12(10)18/h15H,4-9,14H2,1-3H3

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Potential Energy
Epot(MMFF94)=23.8694 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.361 g/mol  logS: -1.98007  SlogP: 1.198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479519  Sterimol/B1: 2.78802  Sterimol/B2: 3.07454  Sterimol/B3: 3.57713
  Sterimol/B4: 7.38476  Sterimol/L: 16.2212 
 
 Surface and Volume Properties
  Accessible surface: 537.792  Positive charged surface: 413.838  Negative charged surface: 123.954  Volume: 273.375
  Hydrophobic surface: 368.564  Hydrophilic surface: 169.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.