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PUBCHEM-ZINC00280459

 MMsINC code: MMs02649985
Type: Neutral
Formula: C14H28N2
SMILES:   N(C1CCCCCC1)C1CCN(CC1)CC
InChI:   InChI=1/C14H28N2/c1-2-16-11-9-14(10-12-16)15-13-7-5-3-4-6-8-13/h13-15H,2-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.1187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.392 g/mol  logS: -2.12132  SlogP: 2.7831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107389  Sterimol/B1: 3.46401  Sterimol/B2: 3.59778  Sterimol/B3: 3.7869
  Sterimol/B4: 3.86483  Sterimol/L: 15.368 
 
 Surface and Volume Properties
  Accessible surface: 485.883  Positive charged surface: 401.641  Negative charged surface: 84.242  Volume: 261.25
  Hydrophobic surface: 448.755  Hydrophilic surface: 37.128
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02649986
PUBCHEM-ZINC00280459