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PUBCHEM-ZINC05178780

 MMsINC code: MMs03221012
Type: Neutral
Formula: C12H33N7
SMILES:   N(CCNCCNCCN)CCNCCNCCN
InChI:   InChI=1/C12H33N7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h15-19H,1-14H2

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Potential Energy
Epot(MMFF94)=32.1987 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.445 g/mol  logS: 2.19204  SlogP: -3.1482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00906304  Sterimol/B1: 2.33815  Sterimol/B2: 2.49847  Sterimol/B3: 2.83502
  Sterimol/B4: 3.17881  Sterimol/L: 26.2283 
 
 Surface and Volume Properties
  Accessible surface: 673.347  Positive charged surface: 620.472  Negative charged surface: 52.8752  Volume: 312.25
  Hydrophobic surface: 443.636  Hydrophilic surface: 229.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03221013
PUBCHEM-ZINC05178780