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PUBCHEM-ZINC04976097

 MMsINC code: MMs03186989
Type: Neutral
Formula: C15H35N3
SMILES:   N(CCCCCCNC)(CCCCCCNC)C
InChI:   InChI=1/C15H35N3/c1-16-12-8-4-6-10-14-18(3)15-11-7-5-9-13-17-2/h16-17H,4-15H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.466 g/mol  logS: -0.63647  SlogP: 2.4778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0207178  Sterimol/B1: 2.57028  Sterimol/B2: 3.08336  Sterimol/B3: 3.70633
  Sterimol/B4: 4.1618  Sterimol/L: 24.3667 
 
 Surface and Volume Properties
  Accessible surface: 648.308  Positive charged surface: 601.942  Negative charged surface: 46.3658  Volume: 313.125
  Hydrophobic surface: 593.829  Hydrophilic surface: 54.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03186990
PUBCHEM-ZINC04976097