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CHEMBRIDGE-ZINC01066174

 MMsINC code: MMs00657035
Type: Neutral
Formula: C24H18N2O5
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(=O)Nc1ccccc1C(OC)=O
InChI:   InChI=1/C24H18N2O5/c1-31-24(30)18-9-5-6-10-20(18)25-21(27)16-11-12-17-19(13-16)23(29)26(22(17)28)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=99.5326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.417 g/mol  logS: -6.05435  SlogP: 3.7881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363722  Sterimol/B1: 1.969  Sterimol/B2: 3.78785  Sterimol/B3: 4.0332
  Sterimol/B4: 8.96112  Sterimol/L: 18.9191 
 
 Surface and Volume Properties
  Accessible surface: 682.268  Positive charged surface: 407.757  Negative charged surface: 274.511  Volume: 380
  Hydrophobic surface: 544.53  Hydrophilic surface: 137.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.