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CHEMDIV-ZINC00246521

 MMsINC code: MMs00845806
Type: Neutral
Formula: C13H24N2O2
SMILES:   O=C(NC1CCCCC1)C(NC(=O)C)(CC)C
InChI:   InChI=1/C13H24N2O2/c1-4-13(3,15-10(2)16)12(17)14-11-8-6-5-7-9-11/h11H,4-9H2,1-3H3,(H,14,17)(H,15,16)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=40.4994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.347 g/mol  logS: -2.27037  SlogP: 1.7401  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143579  Sterimol/B1: 2.11825  Sterimol/B2: 3.02414  Sterimol/B3: 5.65299
  Sterimol/B4: 5.90882  Sterimol/L: 13.4976 
 
 Surface and Volume Properties
  Accessible surface: 483.491  Positive charged surface: 349.917  Negative charged surface: 133.574  Volume: 253.125
  Hydrophobic surface: 397.265  Hydrophilic surface: 86.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.