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CHEMBRIDGE-ZINC04917192

 MMsINC code: MMs00811502
Type: Neutral
Formula: C25H24N2O3
SMILES:   O(C)c1ccc(cc1)\C=C(\NC(=O)c1ccc(cc1)C)/C(=O)NCc1ccccc1
InChI:   InChI=1/C25H24N2O3/c1-18-8-12-21(13-9-18)24(28)27-23(16-19-10-14-22(30-2)15-11-19)25(29)26-17-20-6-4-3-5-7-20/h3-16H,17H2,1-2H3,(H,26,29)(H,27,28)/b23-16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.14 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.478 g/mol  logS: -6.33505  SlogP: 4.35732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0721472  Sterimol/B1: 2.04176  Sterimol/B2: 3.30958  Sterimol/B3: 4.21262
  Sterimol/B4: 11.4271  Sterimol/L: 17.8074 
 
 Surface and Volume Properties
  Accessible surface: 709.04  Positive charged surface: 430.878  Negative charged surface: 278.162  Volume: 399.5
  Hydrophobic surface: 633.432  Hydrophilic surface: 75.608
 
 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.