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PUBCHEM-ZINC03075385

 MMsINC code: MMs02990007
Type: Neutral
Formula: C11H24N2O
SMILES:   O=C(N(CCCC)CC)NCCCC
InChI:   InChI=1/C11H24N2O/c1-4-7-9-12-11(14)13(6-3)10-8-5-2/h4-10H2,1-3H3,(H,12,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-18.5457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.326 g/mol  logS: -1.91395  SlogP: 2.6181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531311  Sterimol/B1: 2.65938  Sterimol/B2: 3.54064  Sterimol/B3: 3.65312
  Sterimol/B4: 6.02366  Sterimol/L: 16.1359 
 
 Surface and Volume Properties
  Accessible surface: 490.393  Positive charged surface: 383.258  Negative charged surface: 107.135  Volume: 233.25
  Hydrophobic surface: 391.685  Hydrophilic surface: 98.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.