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CHEMBRIDGE-ZINC01049400

 MMsINC code: MMs00652733
Type: Neutral
Formula: C25H28N2O4
SMILES:   O(C)c1ccc(OC)cc1NC(=O)Cn1cc(c2c1cccc2)C(=O)C1CCCCC1
InChI:   InChI=1/C25H28N2O4/c1-30-18-12-13-23(31-2)21(14-18)26-24(28)16-27-15-20(19-10-6-7-11-22(19)27)25(29)17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.804 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.509 g/mol  logS: -5.82541  SlogP: 5.3266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112378  Sterimol/B1: 2.15574  Sterimol/B2: 2.20206  Sterimol/B3: 6.89561
  Sterimol/B4: 10.6298  Sterimol/L: 17.7726 
 
 Surface and Volume Properties
  Accessible surface: 729.584  Positive charged surface: 522.272  Negative charged surface: 201.53  Volume: 412.75
  Hydrophobic surface: 652.403  Hydrophilic surface: 77.181
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.