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ACROSORGANICS-ZINC04262085

 MMsINC code: MMs00017221
Type: Neutral
Formula: C10H24N4
SMILES:   N1CCCNCCNCCCNCC1
InChI:   InChI=1/C10H24N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h11-14H,1-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9919 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: 0.78932  SlogP: -0.8614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161219  Sterimol/B1: 2.32215  Sterimol/B2: 3.44343  Sterimol/B3: 5.21355
  Sterimol/B4: 5.54642  Sterimol/L: 10.5227 
 
 Surface and Volume Properties
  Accessible surface: 416.72  Positive charged surface: 378.574  Negative charged surface: 38.1461  Volume: 223.625
  Hydrophobic surface: 335.154  Hydrophilic surface: 81.566
 
 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


MMs00017223
ACROSORGANICS-ZINC04262085


MMs00017222
ACROSORGANICS-ZINC04262085