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PUBCHEM-ZINC05820271

 MMsINC code: MMs03399283
Type: Neutral
Formula: C17H32N2O2
SMILES:   O=C1NC(CC1)C(=O)N(CCCCCC)CCCCCC
InChI:   InChI=1/C17H32N2O2/c1-3-5-7-9-13-19(14-10-8-6-4-2)17(21)15-11-12-16(20)18-15/h15H,3-14H2,1-2H3,(H,18,20)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=27.5227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.455 g/mol  logS: -4.2115  SlogP: 3.2542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673595  Sterimol/B1: 2.25155  Sterimol/B2: 3.38558  Sterimol/B3: 3.42311
  Sterimol/B4: 10.9766  Sterimol/L: 17.9965 
 
 Surface and Volume Properties
  Accessible surface: 632.529  Positive charged surface: 478.048  Negative charged surface: 154.481  Volume: 329.125
  Hydrophobic surface: 482.85  Hydrophilic surface: 149.679
 
 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.