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CHEMBRIDGE-ZINC01178406

 MMsINC code: MMs00681229
Type: Neutral
Formula: C25H23NO4
SMILES:   O(C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1)C(C(=O)c1ccc(cc1)C)C
InChI:   InChI=1/C25H23NO4/c1-17-8-10-20(11-9-17)24(28)18(2)30-25(29)21-12-14-22(15-13-21)26-23(27)16-19-6-4-3-5-7-19/h3-15,18H,16H2,1-2H3,(H,26,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.462 g/mol  logS: -6.69845  SlogP: 4.60439  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276865  Sterimol/B1: 2.80718  Sterimol/B2: 3.27427  Sterimol/B3: 5.14869
  Sterimol/B4: 5.22786  Sterimol/L: 23.5224 
 
 Surface and Volume Properties
  Accessible surface: 727.086  Positive charged surface: 416.084  Negative charged surface: 311.002  Volume: 393
  Hydrophobic surface: 607.638  Hydrophilic surface: 119.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.