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NCID-ZINC01694466

 MMsINC code: MMs02325650
Type: Neutral
Formula: C15H30N3+3
SMILES:   [NH+](Cc1cc(cc(c1)C[NH+](C)C)C[NH+](C)C)(C)C
InChI:   InChI=1/C15H27N3/c1-16(2)10-13-7-14(11-17(3)4)9-15(8-13)12-18(5)6/h7-9H,10-12H2,1-6H3/p+3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.426 g/mol  logS: -0.92606  SlogP: -1.5807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135504  Sterimol/B1: 2.22467  Sterimol/B2: 4.71216  Sterimol/B3: 4.74045
  Sterimol/B4: 8.39024  Sterimol/L: 13.447 
 
 Surface and Volume Properties
  Accessible surface: 560.475  Positive charged surface: 539.215  Negative charged surface: 21.2604  Volume: 303.375
  Hydrophobic surface: 394.06  Hydrophilic surface: 166.415
 
 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


MMs02325651
NCID-ZINC01694466