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PUBCHEM-ZINC02557074

 MMsINC code: MMs02900612
Type: Neutral
Formula: C7H20N4
SMILES:   N(CCCN)CCNCCN
InChI:   InChI=1/C7H20N4/c8-2-1-4-10-6-7-11-5-3-9/h10-11H,1-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.86706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.265 g/mol  logS: 1.29109  SlogP: -1.5269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264801  Sterimol/B1: 2.11598  Sterimol/B2: 2.38664  Sterimol/B3: 2.42105
  Sterimol/B4: 3.06345  Sterimol/L: 16.505 
 
 Surface and Volume Properties
  Accessible surface: 435.708  Positive charged surface: 392.832  Negative charged surface: 42.8766  Volume: 184.875
  Hydrophobic surface: 264.228  Hydrophilic surface: 171.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02900613
PUBCHEM-ZINC02557074