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ASINEX-ZINC00267677

 MMsINC code: MMs00103600
Type: Neutral
Formula: C11H19N3O2
SMILES:   O=C1N(C)C(=O)N(C)C(NCCC(C)C)=C1
InChI:   InChI=1/C11H19N3O2/c1-8(2)5-6-12-9-7-10(15)14(4)11(16)13(9)3/h7-8,12H,5-6H2,1-4H3

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Potential Energy
Epot(MMFF94)=-3.79005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.292 g/mol  logS: -1.88219  SlogP: 0.9873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038569  Sterimol/B1: 2.33825  Sterimol/B2: 3.72701  Sterimol/B3: 4.08272
  Sterimol/B4: 4.92587  Sterimol/L: 14.4737 
 
 Surface and Volume Properties
  Accessible surface: 462.142  Positive charged surface: 352.036  Negative charged surface: 110.106  Volume: 229.75
  Hydrophobic surface: 327.013  Hydrophilic surface: 135.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.