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CHEMBLOCK-ZINC01432399

 MMsINC code: MMs00524413
Type: Neutral
Formula: C24H20N2O5
SMILES:   O1CCOc2cc(NC(=O)c3cc(NC(=O)C)ccc3)c(cc12)C(=O)c1ccccc1
InChI:   InChI=1/C24H20N2O5/c1-15(27)25-18-9-5-8-17(12-18)24(29)26-20-14-22-21(30-10-11-31-22)13-19(20)23(28)16-6-3-2-4-7-16/h2-9,12-14H,10-11H2,1H3,(H,25,27)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.433 g/mol  logS: -5.88673  SlogP: 3.8995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116814  Sterimol/B1: 3.27234  Sterimol/B2: 3.35599  Sterimol/B3: 5.4688
  Sterimol/B4: 10.2308  Sterimol/L: 17.2599 
 
 Surface and Volume Properties
  Accessible surface: 676.404  Positive charged surface: 414.543  Negative charged surface: 261.861  Volume: 387.25
  Hydrophobic surface: 549.498  Hydrophilic surface: 126.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.