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CHEMBRIDGE-ZINC01164950

 MMsINC code: MMs00677353
Type: Neutral
Formula: C25H24N2O4
SMILES:   OC(=O)c1cc(NC(=O)CCc2ccccc2)c(NC(=O)CCc2ccccc2)cc1
InChI:   InChI=1/C25H24N2O4/c28-23(15-11-18-7-3-1-4-8-18)26-21-14-13-20(25(30)31)17-22(21)27-24(29)16-12-19-9-5-2-6-10-19/h1-10,13-14,17H,11-12,15-16H2,(H,26,28)(H,27,29)(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -5.18104  SlogP: 4.52734  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466421  Sterimol/B1: 3.16461  Sterimol/B2: 3.6395  Sterimol/B3: 3.74493
  Sterimol/B4: 12.8003  Sterimol/L: 17.8033 
 
 Surface and Volume Properties
  Accessible surface: 751.757  Positive charged surface: 446.534  Negative charged surface: 305.223  Volume: 403.625
  Hydrophobic surface: 585.069  Hydrophilic surface: 166.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00677354
CHEMBRIDGE-ZINC01164950