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CHEMDIV-ZINC00218299

 MMsINC code: MMs00842529
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C14H24N2O2/c1-10(2)16-12(8-9-13(16)17)14(18)15-11-6-4-3-5-7-11/h10-12H,3-9H2,1-2H3,(H,15,18)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=32.6391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.18778  SlogP: 1.8347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118887  Sterimol/B1: 2.97958  Sterimol/B2: 3.41476  Sterimol/B3: 4.50989
  Sterimol/B4: 5.6764  Sterimol/L: 14.1912 
 
 Surface and Volume Properties
  Accessible surface: 493.695  Positive charged surface: 369.234  Negative charged surface: 124.461  Volume: 264.375
  Hydrophobic surface: 400.583  Hydrophilic surface: 93.112
 
 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.