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PUBCHEM-ZINC06008085

 MMsINC code: MMs03486460
Type: Neutral
Formula: C20H18N2O6
SMILES:   O(C)C1=CC(C=C(OC)C1=O)=CC=1C(=O)NC(=O)N(Cc2ccccc2)C=1O
InChI:   InChI=1/C20H18N2O6/c1-27-15-9-13(10-16(28-2)17(15)23)8-14-18(24)21-20(26)22(19(14)25)11-12-6-4-3-5-7-12/h3-10,25H,11H2,1-2H3,(H,21,24,26)

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Potential Energy
Epot(MMFF94)=90.0449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.372 g/mol  logS: -4.2279  SlogP: 2.3441  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.169058  Sterimol/B1: 2.20427  Sterimol/B2: 3.92838  Sterimol/B3: 5.41187
  Sterimol/B4: 8.10905  Sterimol/L: 16.3823 
 
 Surface and Volume Properties
  Accessible surface: 605.705  Positive charged surface: 387.907  Negative charged surface: 214.807  Volume: 340.75
  Hydrophobic surface: 415.829  Hydrophilic surface: 189.876
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.