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CHEMBRIDGE-ZINC03243467

 MMsINC code: MMs00752898
Type: Neutral
Formula: C24H24N2O5
SMILES:   O(C)c1ccc(cc1)-c1nn(cc1C=C(C(OCC)=O)C(OCC)=O)-c1ccccc1
InChI:   InChI=1/C24H24N2O5/c1-4-30-23(27)21(24(28)31-5-2)15-18-16-26(19-9-7-6-8-10-19)25-22(18)17-11-13-20(29-3)14-12-17/h6-16H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=114.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.94408  SlogP: 4.0575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869625  Sterimol/B1: 2.21184  Sterimol/B2: 5.68586  Sterimol/B3: 6.76285
  Sterimol/B4: 9.14604  Sterimol/L: 15.1723 
 
 Surface and Volume Properties
  Accessible surface: 728.723  Positive charged surface: 466.535  Negative charged surface: 262.188  Volume: 408.625
  Hydrophobic surface: 598.948  Hydrophilic surface: 129.775
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.