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PUBCHEM-ZINC05829344

 MMsINC code: MMs03404500
Type: Neutral
Formula: C6H14N4-4
SMILES:   [N-](CC[N-]CC[NH-])CC[NH-]
InChI:   InChI=1/C6H14N4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2/q-4

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.2858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.206 g/mol  logS: 1.3953  SlogP: 0.2996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302484  Sterimol/B1: 2.18275  Sterimol/B2: 2.37507  Sterimol/B3: 2.37583
  Sterimol/B4: 3.00325  Sterimol/L: 15.2558 
 
 Surface and Volume Properties
  Accessible surface: 393.683  Positive charged surface: 268.616  Negative charged surface: 125.068  Volume: 157.625
  Hydrophobic surface: 253.67  Hydrophilic surface: 140.013
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 0  Acid groups: 4  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.