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CHEMDIV-ZINC04676482

 MMsINC code: MMs00941551
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CCCCC1C
InChI:   InChI=1/C15H26N2O2/c1-10(2)17-13(8-9-14(17)18)15(19)16-12-7-5-4-6-11(12)3/h10-13H,4-9H2,1-3H3,(H,16,19)/t11-,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=45.3053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.38955  SlogP: 2.0807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141175  Sterimol/B1: 2.50109  Sterimol/B2: 3.01373  Sterimol/B3: 4.91964
  Sterimol/B4: 6.08839  Sterimol/L: 12.9281 
 
 Surface and Volume Properties
  Accessible surface: 503.068  Positive charged surface: 372.978  Negative charged surface: 130.091  Volume: 278.25
  Hydrophobic surface: 409.14  Hydrophilic surface: 93.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.