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CHEMBLOCK-ZINC03660011

 MMsINC code: MMs00539422
Type: Neutral
Formula: C21H25N3O3
SMILES:   O(Cc1ccc(cc1)C)c1ccc(cc1)\C=N\NC(=O)C(=O)NC(C)(C)C
InChI:   InChI=1/C21H25N3O3/c1-15-5-7-17(8-6-15)14-27-18-11-9-16(10-12-18)13-22-24-20(26)19(25)23-21(2,3)4/h5-13H,14H2,1-4H3,(H,23,25)(H,24,26)/b22-13+

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Potential Energy
Epot(MMFF94)=118.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.449 g/mol  logS: -5.21665  SlogP: 3.20522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0199596  Sterimol/B1: 3.36426  Sterimol/B2: 3.62379  Sterimol/B3: 3.62452
  Sterimol/B4: 5.76975  Sterimol/L: 23.835 
 
 Surface and Volume Properties
  Accessible surface: 711.701  Positive charged surface: 441.908  Negative charged surface: 269.793  Volume: 368.125
  Hydrophobic surface: 534.071  Hydrophilic surface: 177.63
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.