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CHEMDIV-ZINC00246518

 MMsINC code: MMs00845805
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-/m0/s1

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Potential Energy
Epot(MMFF94)=42.6771 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: 0.18911  Sterimol/B1: 2.15666  Sterimol/B2: 2.59867  Sterimol/B3: 5.81845
  Sterimol/B4: 6.0331  Sterimol/L: 13.2796 
 
 Surface and Volume Properties
  Accessible surface: 479.145  Positive charged surface: 342.757  Negative charged surface: 136.388  Volume: 256.25
  Hydrophobic surface: 392.675  Hydrophilic surface: 86.47
 
 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.