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ACROSORGANICS-ZINC01530708

 MMsINC code: MMs00008934
Type: Neutral
Formula: C6H18N4
SMILES:   N(CCNCCN)CCN
InChI:   InChI=1/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.7706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.238 g/mol  logS: 1.49286  SlogP: -1.917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302207  Sterimol/B1: 2.27201  Sterimol/B2: 2.47894  Sterimol/B3: 2.73439
  Sterimol/B4: 3.25177  Sterimol/L: 15.2472 
 
 Surface and Volume Properties
  Accessible surface: 406.642  Positive charged surface: 367.954  Negative charged surface: 38.6883  Volume: 167.375
  Hydrophobic surface: 233.835  Hydrophilic surface: 172.807
 
 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


MMs00008936
ACROSORGANICS-ZINC01530708


MMs00008935
ACROSORGANICS-ZINC01530708