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CHEMBRIDGE-ZINC03001212

 MMsINC code: MMs00749908
Type: Neutral
Formula: C30H26N2O4
SMILES:   o1c2cc(NC(=O)c3ccccc3OCC(=O)Nc3c(cc(cc3C)C)C)ccc2c2c1cccc2
InChI:   InChI=1/C30H26N2O4/c1-18-14-19(2)29(20(3)15-18)32-28(33)17-35-25-10-6-5-9-24(25)30(34)31-21-12-13-23-22-8-4-7-11-26(22)36-27(23)16-21/h4-16H,17H2,1-3H3,(H,31,34)(H,32,33)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.548 g/mol  logS: -9.48855  SlogP: 6.78106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481857  Sterimol/B1: 2.4607  Sterimol/B2: 3.95919  Sterimol/B3: 4.75576
  Sterimol/B4: 13.3877  Sterimol/L: 18.5275 
 
 Surface and Volume Properties
  Accessible surface: 808.621  Positive charged surface: 473.509  Negative charged surface: 323.886  Volume: 464.5
  Hydrophobic surface: 738.626  Hydrophilic surface: 69.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.