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CHEMDIV-ZINC04035711

 MMsINC code: MMs00923873
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(C)C)CCC(C)C
InChI:   InChI=1/C13H24N2O2/c1-9(2)5-6-15-8-11(7-12(15)16)13(17)14-10(3)4/h9-11H,5-8H2,1-4H3,(H,14,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=10.2315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -1.83077  SlogP: 1.4056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471724  Sterimol/B1: 2.41133  Sterimol/B2: 2.45835  Sterimol/B3: 4.1728
  Sterimol/B4: 5.67446  Sterimol/L: 16.3688 
 
 Surface and Volume Properties
  Accessible surface: 511.785  Positive charged surface: 374.37  Negative charged surface: 137.414  Volume: 259.875
  Hydrophobic surface: 361.398  Hydrophilic surface: 150.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.