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CHEMBLOCK-ZINC04402247

 MMsINC code: MMs00550352
Type: Neutral
Formula: C24H23N3O4
SMILES:   Oc1ccc(O)cc1/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)/C
InChI:   InChI=1/C24H23N3O4/c1-16(20-14-19(28)12-13-21(20)29)26-27-22(30)15-25-24(31)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,23,28-29H,15H2,1H3,(H,25,31)(H,27,30)/b26-16+

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Potential Energy
Epot(MMFF94)=158.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.465 g/mol  logS: -4.99691  SlogP: 2.8863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494286  Sterimol/B1: 2.04945  Sterimol/B2: 4.00351  Sterimol/B3: 4.76954
  Sterimol/B4: 8.42743  Sterimol/L: 21.0423 
 
 Surface and Volume Properties
  Accessible surface: 722.757  Positive charged surface: 431.959  Negative charged surface: 290.797  Volume: 399
  Hydrophobic surface: 551.412  Hydrophilic surface: 171.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.