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NCID-ZINC01766022

 MMsINC code: MMs02369728
Type: Neutral
Formula: C14H34N4
SMILES:   N(C(CCC(NCCCN)(C)C)(C)C)CCCN
InChI:   InChI=1/C14H34N4/c1-13(2,17-11-5-9-15)7-8-14(3,4)18-12-6-10-16/h17-18H,5-12,15-16H2,1-4H3

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Potential Energy
Epot(MMFF94)=35.1816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -0.62306  SlogP: 1.2006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047305  Sterimol/B1: 2.12754  Sterimol/B2: 2.64168  Sterimol/B3: 4.71882
  Sterimol/B4: 5.06621  Sterimol/L: 20.2508 
 
 Surface and Volume Properties
  Accessible surface: 583.014  Positive charged surface: 468.85  Negative charged surface: 114.164  Volume: 302.75
  Hydrophobic surface: 355.5  Hydrophilic surface: 227.514
 
 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


MMs02369729
NCID-ZINC01766022