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NCID-ZINC01691446

 MMsINC code: MMs02323520
Type: Neutral
Formula: C7H22N4+2
SMILES:   [N+](N)(CCC[N+](N)(C)C)(C)C
InChI:   InChI=1/C7H22N4/c1-10(2,8)6-5-7-11(3,4)9/h5-9H2,1-4H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.281 g/mol  logS: 0.50083  SlogP: -0.7233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170188  Sterimol/B1: 2.11618  Sterimol/B2: 2.53161  Sterimol/B3: 3.81085
  Sterimol/B4: 4.77307  Sterimol/L: 11.5592 
 
 Surface and Volume Properties
  Accessible surface: 388.03  Positive charged surface: 365.138  Negative charged surface: 22.8925  Volume: 187.25
  Hydrophobic surface: 204.597  Hydrophilic surface: 183.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.