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CHEMBRIDGE-ZINC00284768

MMsINC code: MMs00601265

Type: Neutral
Formula: C20H20N2O
SMILES:   O=C(Nc1cc2c(cc1)cccc2)NC(Cc1ccccc1)C
InChI:   InChI=1/C20H20N2O/c1-15(13-16-7-3-2-4-8-16)21-20(23)22-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14-15H,13H2,1H3,(H2,21,22,23)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=58.1742 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.393 g/mol  logS: -5.46265  SlogP: 4.59247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075945  Sterimol/B1: 2.15647  Sterimol/B2: 2.7658  Sterimol/B3: 4.87491
  Sterimol/B4: 8.16158  Sterimol/L: 16.0578 
 
 Surface and Volume Properties
  Accessible surface: 579.028  Positive charged surface: 331.622  Negative charged surface: 237.958  Volume: 314
  Hydrophobic surface: 511.925  Hydrophilic surface: 67.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.