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CHEMBRIDGE-ZINC02874440

 MMsINC code: MMs00731276
Type: Neutral
Formula: C22H20N4O4
SMILES:   O(C)c1ccc(cc1)C(=O)Nn1cc2N(C)C(=O)N(C)C(=O)c2c1-c1ccccc1
InChI:   InChI=1/C22H20N4O4/c1-24-17-13-26(23-20(27)15-9-11-16(30-3)12-10-15)19(14-7-5-4-6-8-14)18(17)21(28)25(2)22(24)29/h4-13H,1-3H3,(H,23,27)

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Potential Energy
Epot(MMFF94)=70.756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.426 g/mol  logS: -4.5611  SlogP: 3.1894  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173545  Sterimol/B1: 1.969  Sterimol/B2: 2.88953  Sterimol/B3: 2.96427
  Sterimol/B4: 10.8563  Sterimol/L: 18.8824 
 
 Surface and Volume Properties
  Accessible surface: 649.133  Positive charged surface: 432.738  Negative charged surface: 216.395  Volume: 373.75
  Hydrophobic surface: 529.693  Hydrophilic surface: 119.44
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.