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NCID-ZINC01604126

 MMsINC code: MMs02256652
Type: Neutral
Formula: C13H32N3+3
SMILES:   [NH+](CC)(CC)C[NH+](CC=C)C[NH+](CC)CC
InChI:   InChI=1/C13H29N3/c1-6-11-16(12-14(7-2)8-3)13-15(9-4)10-5/h6H,1,7-13H2,2-5H3/p+3

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Potential Energy
Epot(MMFF94)=3.24649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.42 g/mol  logS: -0.42711  SlogP: -2.1783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174185  Sterimol/B1: 3.03169  Sterimol/B2: 4.73231  Sterimol/B3: 4.95262
  Sterimol/B4: 4.97928  Sterimol/L: 14.622 
 
 Surface and Volume Properties
  Accessible surface: 509.927  Positive charged surface: 403.524  Negative charged surface: 106.403  Volume: 287.875
  Hydrophobic surface: 367.757  Hydrophilic surface: 142.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 3
  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


MMs02256653
NCID-ZINC01604126