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PUBCHEM-ZINC03647804

 MMsINC code: MMs03033293
Type: Neutral
Formula: C10H26N4
SMILES:   N(CCCCN)CCCNCCCN
InChI:   InChI=1/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-14.1016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.346 g/mol  logS: 0.68578  SlogP: -0.3566  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173245  Sterimol/B1: 2.29848  Sterimol/B2: 2.44661  Sterimol/B3: 2.55597
  Sterimol/B4: 3.12056  Sterimol/L: 20.2517 
 
 Surface and Volume Properties
  Accessible surface: 529.156  Positive charged surface: 471.474  Negative charged surface: 57.6811  Volume: 239.625
  Hydrophobic surface: 355.448  Hydrophilic surface: 173.708
 
 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


MMs03033294
PUBCHEM-ZINC03647804