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PUBCHEM-ZINC01358647

 MMsINC code: MMs02799374
Type: Neutral
Formula: C23H23N3O3
SMILES:   O(C)c1ccc(cc1)C(=O)Nc1ncc(NC(=O)CCc2ccccc2)c(c1)C
InChI:   InChI=1/C23H23N3O3/c1-16-14-21(26-23(28)18-9-11-19(29-2)12-10-18)24-15-20(16)25-22(27)13-8-17-6-4-3-5-7-17/h3-7,9-12,14-15H,8,13H2,1-2H3,(H,25,27)(H,24,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.305 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.455 g/mol  logS: -4.53222  SlogP: 4.22219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0138115  Sterimol/B1: 2.14759  Sterimol/B2: 3.19965  Sterimol/B3: 3.69707
  Sterimol/B4: 8.31956  Sterimol/L: 24.6163 
 
 Surface and Volume Properties
  Accessible surface: 714.119  Positive charged surface: 462.28  Negative charged surface: 251.84  Volume: 382.375
  Hydrophobic surface: 613.476  Hydrophilic surface: 100.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.