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PUBCHEM-ZINC05355394

 MMsINC code: MMs03246795
Type: Neutral
Formula: C20H18N4O6
SMILES:   O(C(=O)c1ccc(cc1)\C=N\NC(=O)C(=O)N\N=C\c1ccc(cc1)C(OC)=O)C
InChI:   InChI=1/C20H18N4O6/c1-29-19(27)15-7-3-13(4-8-15)11-21-23-17(25)18(26)24-22-12-14-5-9-16(10-6-14)20(28)30-2/h3-12H,1-2H3,(H,23,25)(H,24,26)/b21-11+,22-12+

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Potential Energy
Epot(MMFF94)=142.691 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.386 g/mol  logS: -4.71342  SlogP: 0.8602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00119274  Sterimol/B1: 2.3752  Sterimol/B2: 2.37724  Sterimol/B3: 3.13762
  Sterimol/B4: 6.08261  Sterimol/L: 26.4869 
 
 Surface and Volume Properties
  Accessible surface: 742.354  Positive charged surface: 485.595  Negative charged surface: 256.76  Volume: 376.25
  Hydrophobic surface: 488.106  Hydrophilic surface: 254.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.