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PUBCHEM-ZINC05933496

 MMsINC code: MMs03451395
Type: Neutral
Formula: C13H24N4
SMILES:   N(Cc1ccccc1)CCNCCNCCN
InChI:   InChI=1/C13H24N4/c14-6-7-15-8-9-16-10-11-17-12-13-4-2-1-3-5-13/h1-5,15-17H,6-12,14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.3726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.363 g/mol  logS: -0.35062  SlogP: 0.1805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0313293  Sterimol/B1: 2.62281  Sterimol/B2: 3.20326  Sterimol/B3: 4.00823
  Sterimol/B4: 4.28614  Sterimol/L: 20.2957 
 
 Surface and Volume Properties
  Accessible surface: 561.387  Positive charged surface: 443.299  Negative charged surface: 118.088  Volume: 264.25
  Hydrophobic surface: 437.229  Hydrophilic surface: 124.158
 
 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


MMs03451396
PUBCHEM-ZINC05933496