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CHEMBRIDGE-ZINC01160433

 MMsINC code: MMs00675904
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CC(=O)Nc1ccc(cc1C)C)c1ccccc1C(=O)NCCc1ccccc1
InChI:   InChI=1/C25H26N2O3/c1-18-12-13-22(19(2)16-18)27-24(28)17-30-23-11-7-6-10-21(23)25(29)26-15-14-20-8-4-3-5-9-20/h3-13,16H,14-15,17H2,1-2H3,(H,26,29)(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.04158  SlogP: 4.29341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298654  Sterimol/B1: 2.28055  Sterimol/B2: 3.3933  Sterimol/B3: 3.88215
  Sterimol/B4: 11.9203  Sterimol/L: 18.8733 
 
 Surface and Volume Properties
  Accessible surface: 749.407  Positive charged surface: 458.748  Negative charged surface: 290.659  Volume: 405.75
  Hydrophobic surface: 674.912  Hydrophilic surface: 74.495
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.