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NCID-ZINC01755738

 MMsINC code: MMs02364503
Type: Neutral
Formula: C14H33N3
SMILES:   N(CCN(CC)CC)(CCN(CC)CC)CC
InChI:   InChI=1/C14H33N3/c1-6-15(7-2)11-13-17(10-5)14-12-16(8-3)9-4/h6-14H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.0223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.439 g/mol  logS: -0.92026  SlogP: 1.9919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204002  Sterimol/B1: 2.34537  Sterimol/B2: 2.65251  Sterimol/B3: 6.20072
  Sterimol/B4: 7.90331  Sterimol/L: 13.6934 
 
 Surface and Volume Properties
  Accessible surface: 571.878  Positive charged surface: 457.467  Negative charged surface: 114.411  Volume: 296.125
  Hydrophobic surface: 457.467  Hydrophilic surface: 114.411
 
 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


MMs02364504
NCID-ZINC01755738