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CHEMBRIDGE-ZINC03683704

 MMsINC code: MMs00754433
Type: Neutral
Formula: C13H27N3
SMILES:   N(C)(C1CCN(CC1)C)C1CCN(CC1)C
InChI:   InChI=1/C13H27N3/c1-14-8-4-12(5-9-14)16(3)13-6-10-15(2)11-7-13/h12-13H,4-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=34.2374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.38 g/mol  logS: -0.38897  SlogP: 1.1066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0952211  Sterimol/B1: 2.64406  Sterimol/B2: 3.58488  Sterimol/B3: 3.63932
  Sterimol/B4: 5.64055  Sterimol/L: 14.9154 
 
 Surface and Volume Properties
  Accessible surface: 466.369  Positive charged surface: 442.294  Negative charged surface: 24.0756  Volume: 255.25
  Hydrophobic surface: 459.3  Hydrophilic surface: 7.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00754434
CHEMBRIDGE-ZINC03683704