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PUBCHEM-ZINC00672506

 MMsINC code: MMs02724730
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(CC(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2C)cc1)c1ccc(cc1)C
InChI:   InChI=1/C24H23N3O4/c1-16-7-13-20(14-8-16)31-15-22(28)26-27-23(29)18-9-11-19(12-10-18)25-24(30)21-6-4-3-5-17(21)2/h3-14H,15H2,1-2H3,(H,25,30)(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=148.679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -6.57805  SlogP: 3.39574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.006611  Sterimol/B1: 2.7649  Sterimol/B2: 3.11853  Sterimol/B3: 3.94451
  Sterimol/B4: 4.7597  Sterimol/L: 25.9461 
 
 Surface and Volume Properties
  Accessible surface: 752.206  Positive charged surface: 427.981  Negative charged surface: 324.225  Volume: 396.75
  Hydrophobic surface: 608.433  Hydrophilic surface: 143.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.