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PUBCHEM-ZINC05996359

 MMsINC code: MMs03480345
Type: Neutral
Formula: C7H20N4
SMILES:   N(CCNCCN)CCNC
InChI:   InChI=1/C7H20N4/c1-9-4-5-11-7-6-10-3-2-8/h9-11H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.4691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.265 g/mol  logS: 1.41728  SlogP: -1.6563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0238365  Sterimol/B1: 2.48875  Sterimol/B2: 2.68533  Sterimol/B3: 2.75355
  Sterimol/B4: 3.16971  Sterimol/L: 16.6892 
 
 Surface and Volume Properties
  Accessible surface: 439.266  Positive charged surface: 407.576  Negative charged surface: 31.6899  Volume: 186.625
  Hydrophobic surface: 306.363  Hydrophilic surface: 132.903
 
 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


MMs03480346
PUBCHEM-ZINC05996359