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MAYBRIDGE-ZINC01048760

 MMsINC code: MMs02157650
Type: Neutral
Formula: C19H13Cl2NO4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1ccccc1C(=O)C)=O
InChI:   InChI=1/C19H13Cl2NO4/c1-10(23)12-6-3-4-9-15(12)25-19(24)16-11(2)26-22-18(16)17-13(20)7-5-8-14(17)21/h3-9H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.222 g/mol  logS: -6.63471  SlogP: 5.37862  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0792058  Sterimol/B1: 2.47206  Sterimol/B2: 4.30138  Sterimol/B3: 4.69846
  Sterimol/B4: 9.68501  Sterimol/L: 13.7016 
 
 Surface and Volume Properties
  Accessible surface: 573.781  Positive charged surface: 250.28  Negative charged surface: 323.5  Volume: 332
  Hydrophobic surface: 523.469  Hydrophilic surface: 50.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.