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ACROSORGANICS-ZINC03793226

 MMsINC code: MMs00015090
Type: Neutral
Formula: C11H26N4
SMILES:   N1CCCNCCCNCCNCCC1
InChI:   InChI=1/C11H26N4/c1-4-12-6-2-8-14-10-11-15-9-3-7-13-5-1/h12-15H,1-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.357 g/mol  logS: 0.58755  SlogP: -0.4713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143608  Sterimol/B1: 2.44508  Sterimol/B2: 2.57678  Sterimol/B3: 3.21161
  Sterimol/B4: 8.7307  Sterimol/L: 11.1493 
 
 Surface and Volume Properties
  Accessible surface: 441.751  Positive charged surface: 402.297  Negative charged surface: 39.4534  Volume: 242.5
  Hydrophobic surface: 374.949  Hydrophilic surface: 66.802
 
 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


MMs00015092
ACROSORGANICS-ZINC03793226


MMs00015091
ACROSORGANICS-ZINC03793226