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PUBCHEM-ZINC05977077

 MMsINC code: MMs03472502
Type: Neutral
Formula: C15H26N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC1CCCCCC1
InChI:   InChI=1/C15H26N2O2/c1-11(2)17-13(9-10-14(17)18)15(19)16-12-7-5-3-4-6-8-12/h11-13H,3-10H2,1-2H3,(H,16,19)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=50.6558 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -2.703  SlogP: 2.2248  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135254  Sterimol/B1: 3.10339  Sterimol/B2: 3.59074  Sterimol/B3: 4.8576
  Sterimol/B4: 5.49501  Sterimol/L: 14.3423 
 
 Surface and Volume Properties
  Accessible surface: 510.876  Positive charged surface: 376.202  Negative charged surface: 134.674  Volume: 281.375
  Hydrophobic surface: 418.618  Hydrophilic surface: 92.258
 
 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.