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CHEMBRIDGE-ZINC01515716

 MMsINC code: MMs00694606
Type: Neutral
Formula: C23H20N2O3
SMILES:   O1CCN(CC1)c1c2c3c(cc1)C(=O)N(C(=O)c3ccc2)c1cc(ccc1)C
InChI:   InChI=1/C23H20N2O3/c1-15-4-2-5-16(14-15)25-22(26)18-7-3-6-17-20(24-10-12-28-13-11-24)9-8-19(21(17)18)23(25)27/h2-9,14H,10-13H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.424 g/mol  logS: -6.32928  SlogP: 3.78542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752897  Sterimol/B1: 2.23839  Sterimol/B2: 3.55016  Sterimol/B3: 6.0658
  Sterimol/B4: 6.37748  Sterimol/L: 17.5365 
 
 Surface and Volume Properties
  Accessible surface: 609.157  Positive charged surface: 392.336  Negative charged surface: 208.782  Volume: 352.125
  Hydrophobic surface: 528.542  Hydrophilic surface: 80.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.