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PUBCHEM-ZINC00277797

 MMsINC code: MMs02649260
Type: Neutral
Formula: C19H24N2
SMILES:   N1(CCN(CC1)CCc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C19H24N2/c1-3-7-18(8-4-1)11-12-20-13-15-21(16-14-20)17-19-9-5-2-6-10-19/h1-10H,11-17H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.0552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.415 g/mol  logS: -3.13243  SlogP: 3.31327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596767  Sterimol/B1: 3.23154  Sterimol/B2: 3.41036  Sterimol/B3: 3.99113
  Sterimol/B4: 5.54645  Sterimol/L: 17.3001 
 
 Surface and Volume Properties
  Accessible surface: 571.495  Positive charged surface: 392.641  Negative charged surface: 178.854  Volume: 307.125
  Hydrophobic surface: 562.211  Hydrophilic surface: 9.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02649261
PUBCHEM-ZINC00277797