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NCID-ZINC05121184

MMsINC code: MMs02443400

Type: Neutral
Formula: C18H19NO
SMILES:   O=C(\C=C/c1ccc(N(C)C)cc1)Cc1ccccc1
InChI:   InChI=1/C18H19NO/c1-19(2)17-11-8-15(9-12-17)10-13-18(20)14-16-6-4-3-5-7-16/h3-13H,14H2,1-2H3/b13-10-

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=110.289 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.356 g/mol  logS: -3.95239  SlogP: 3.57757  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.119579  Sterimol/B1: 2.61456  Sterimol/B2: 3.01222  Sterimol/B3: 4.93645
  Sterimol/B4: 7.96231  Sterimol/L: 13.3305 
 
 Surface and Volume Properties
  Accessible surface: 531.891  Positive charged surface: 370.875  Negative charged surface: 161.016  Volume: 281.5
  Hydrophobic surface: 522.804  Hydrophilic surface: 9.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.