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ENAMINE-ZINC03161454

 MMsINC code: MMs01291690
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C(C)(C)C)C(=O)N(C=C1)CCC
InChI:   InChI=1/C11H18N2O2/c1-5-7-12-8-6-9(14)13(10(12)15)11(2,3)4/h6,8H,5,7H2,1-4H3

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Potential Energy
Epot(MMFF94)=40.3367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.71168  SlogP: 1.9728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112687  Sterimol/B1: 3.12809  Sterimol/B2: 3.39743  Sterimol/B3: 3.74506
  Sterimol/B4: 6.04788  Sterimol/L: 12.3198 
 
 Surface and Volume Properties
  Accessible surface: 422.168  Positive charged surface: 285.449  Negative charged surface: 136.719  Volume: 215.125
  Hydrophobic surface: 311.092  Hydrophilic surface: 111.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.