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PUBCHEM-ZINC00280323

 MMsINC code: MMs02649956
Type: Neutral
Formula: C16H34N2O
SMILES:   OC(CCCC(NC1CCN(CC1)CCC)C)(C)C
InChI:   InChI=1/C16H34N2O/c1-5-11-18-12-8-15(9-13-18)17-14(2)7-6-10-16(3,4)19/h14-15,17,19H,5-13H2,1-4H3/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=23.1751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.461 g/mol  logS: -1.72113  SlogP: 2.7801  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691809  Sterimol/B1: 2.56895  Sterimol/B2: 2.90137  Sterimol/B3: 4.17911
  Sterimol/B4: 7.89445  Sterimol/L: 16.4792 
 
 Surface and Volume Properties
  Accessible surface: 580.867  Positive charged surface: 461.857  Negative charged surface: 119.01  Volume: 313.125
  Hydrophobic surface: 456.235  Hydrophilic surface: 124.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02649957
PUBCHEM-ZINC00280323