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PUBCHEM-ZINC02012959

 MMsINC code: MMs02850277
Type: Neutral
Formula: C19H23N
SMILES:   N1(CCCCC1)C(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23N/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)20-14-8-3-9-15-20/h1-2,4-7,10-13,19H,3,8-9,14-16H2/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.3257 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.4 g/mol  logS: -3.83985  SlogP: 4.55177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122611  Sterimol/B1: 3.09797  Sterimol/B2: 3.17387  Sterimol/B3: 3.51646
  Sterimol/B4: 7.69353  Sterimol/L: 14.1356 
 
 Surface and Volume Properties
  Accessible surface: 512.868  Positive charged surface: 354.977  Negative charged surface: 157.89  Volume: 291.375
  Hydrophobic surface: 512.868  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02850278
PUBCHEM-ZINC02012959