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NCID-ZINC05103507

 MMsINC code: MMs02439909
Type: Neutral
Formula: C14H34N4
SMILES:   N(CCCNCCCCNCCCN(C)C)(C)C
InChI:   InChI=1/C14H34N4/c1-17(2)13-7-11-15-9-5-6-10-16-12-8-14-18(3)4/h15-16H,5-14H2,1-4H3

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Potential Energy
Epot(MMFF94)=13.596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: 0.27272  SlogP: 0.8492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0187535  Sterimol/B1: 2.5113  Sterimol/B2: 2.90553  Sterimol/B3: 3.49597
  Sterimol/B4: 3.90445  Sterimol/L: 23.0963 
 
 Surface and Volume Properties
  Accessible surface: 629.531  Positive charged surface: 598.777  Negative charged surface: 30.7539  Volume: 311
  Hydrophobic surface: 584.551  Hydrophilic surface: 44.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02439910
NCID-ZINC05103507