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PUBCHEM-ZINC05828551

 MMsINC code: MMs03404000
Type: Neutral
Formula: C9H20N2-2
SMILES:   [NH-]CCCCCCCCC[NH-]
InChI:   InChI=1/C9H20N2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2/q-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.15934 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.273 g/mol  logS: -1.37478  SlogP: 2.2829  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312224  Sterimol/B1: 2.11444  Sterimol/B2: 2.37499  Sterimol/B3: 2.37587
  Sterimol/B4: 2.99864  Sterimol/L: 16.6848 
 
 Surface and Volume Properties
  Accessible surface: 430.977  Positive charged surface: 326.398  Negative charged surface: 104.579  Volume: 191.5
  Hydrophobic surface: 311.638  Hydrophilic surface: 119.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 2  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.