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PUBCHEM-ZINC04745324

 MMsINC code: MMs03165235
Type: Neutral
Formula: C14H26N2O
SMILES:   O=C(N1CCCCC1)C1CCCN(C1)C(C)C
InChI:   InChI=1/C14H26N2O/c1-12(2)16-10-6-7-13(11-16)14(17)15-8-4-3-5-9-15/h12-13H,3-11H2,1-2H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=28.8762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.375 g/mol  logS: -1.27244  SlogP: 2.1193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0871615  Sterimol/B1: 3.12917  Sterimol/B2: 3.68906  Sterimol/B3: 4.31572
  Sterimol/B4: 4.32319  Sterimol/L: 14.5607 
 
 Surface and Volume Properties
  Accessible surface: 481.17  Positive charged surface: 380.941  Negative charged surface: 100.229  Volume: 260.625
  Hydrophobic surface: 413.664  Hydrophilic surface: 67.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03165236
PUBCHEM-ZINC04745324