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CHEMDIV-ZINC04676475

 MMsINC code: MMs00941550
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NCCC(C)C
InChI:   InChI=1/C13H24N2O2/c1-9(2)7-8-14-13(17)11-5-6-12(16)15(11)10(3)4/h9-11H,5-8H2,1-4H3,(H,14,17)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=39.8895 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -2.27606  SlogP: 1.5481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806979  Sterimol/B1: 2.94684  Sterimol/B2: 4.00062  Sterimol/B3: 4.45461
  Sterimol/B4: 4.5749  Sterimol/L: 14.8231 
 
 Surface and Volume Properties
  Accessible surface: 501.952  Positive charged surface: 371.538  Negative charged surface: 130.414  Volume: 258.375
  Hydrophobic surface: 368.848  Hydrophilic surface: 133.104
 
 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.