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PUBCHEM-ZINC05828653

 MMsINC code: MMs03404077
Type: Neutral
Formula: C6H17N4-
SMILES:   N(CC[NH-])(CCN)CCN
InChI:   InChI=1/C6H17N4/c7-1-4-10(5-2-8)6-3-9/h7H,1-6,8-9H2/q-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.4699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.23 g/mol  logS: 1.4131  SlogP: -1.5113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129102  Sterimol/B1: 2.55712  Sterimol/B2: 3.28897  Sterimol/B3: 3.44901
  Sterimol/B4: 6.49475  Sterimol/L: 10.7177 
 
 Surface and Volume Properties
  Accessible surface: 377.408  Positive charged surface: 310.07  Negative charged surface: 67.338  Volume: 162.875
  Hydrophobic surface: 181.947  Hydrophilic surface: 195.461
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 1  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.