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PUBCHEM-ZINC06885680

 MMsINC code: MMs03890062
Type: Neutral
Formula: C24H23N3O4
SMILES:   O(CC(=O)NNC(=O)CCC(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C24H23N3O4/c28-22(25-20-9-5-2-6-10-20)15-16-23(29)26-27-24(30)17-31-21-13-11-19(12-14-21)18-7-3-1-4-8-18/h1-14H,15-17H2,(H,25,28)(H,26,29)(H,27,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -6.07897  SlogP: 3.2987  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00358987  Sterimol/B1: 2.61568  Sterimol/B2: 2.79615  Sterimol/B3: 3.49453
  Sterimol/B4: 5.3187  Sterimol/L: 27.6037 
 
 Surface and Volume Properties
  Accessible surface: 765.135  Positive charged surface: 427.19  Negative charged surface: 326.874  Volume: 399.125
  Hydrophobic surface: 604.361  Hydrophilic surface: 160.774
 
 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.