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NCID-ZINC01603223

 MMsINC code: MMs02255959
Type: Neutral
Formula: C26H20N2O4
SMILES:   Oc1ccccc1C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)c2ccccc2O)cc1
InChI:   InChI=1/C26H20N2O4/c29-23-7-3-1-5-21(23)25(31)27-19-13-9-17(10-14-19)18-11-15-20(16-12-18)28-26(32)22-6-2-4-8-24(22)30/h1-16,29-30H,(H,27,31)(H,28,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.456 g/mol  logS: -7.02734  SlogP: 5.2694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00708722  Sterimol/B1: 2.58478  Sterimol/B2: 2.96739  Sterimol/B3: 3.40031
  Sterimol/B4: 5.33175  Sterimol/L: 24.7797 
 
 Surface and Volume Properties
  Accessible surface: 707.176  Positive charged surface: 380.65  Negative charged surface: 315.455  Volume: 397.75
  Hydrophobic surface: 557.714  Hydrophilic surface: 149.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.