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PUBCHEM-ZINC02547366

 MMsINC code: MMs02898964
Type: Neutral
Formula: C19H24N2
SMILES:   NC(=N)c1ccc(cc1)-c1ccc(cc1)CCCCCC
InChI:   InChI=1/C19H24N2/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)19(20)21/h7-14H,2-6H2,1H3,(H3,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.5347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.415 g/mol  logS: -7.31416  SlogP: 4.76044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0381661  Sterimol/B1: 2.12708  Sterimol/B2: 3.39873  Sterimol/B3: 3.87533
  Sterimol/B4: 5.28733  Sterimol/L: 20.6823 
 
 Surface and Volume Properties
  Accessible surface: 584.804  Positive charged surface: 368.352  Negative charged surface: 206.095  Volume: 307.75
  Hydrophobic surface: 448.602  Hydrophilic surface: 136.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs02898965
PUBCHEM-ZINC02547366