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MAYBRIDGE-ZINC01048698

 MMsINC code: MMs02157619
Type: Neutral
Formula: C19H13Cl2NO4
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(OCC(=O)c1ccccc1)=O
InChI:   InChI=1/C19H13Cl2NO4/c1-11-16(18(22-26-11)17-13(20)8-5-9-14(17)21)19(24)25-10-15(23)12-6-3-2-4-7-12/h2-9H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.222 g/mol  logS: -6.68936  SlogP: 4.99652  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119051  Sterimol/B1: 2.23922  Sterimol/B2: 4.61156  Sterimol/B3: 4.74509
  Sterimol/B4: 10.311  Sterimol/L: 15.1872 
 
 Surface and Volume Properties
  Accessible surface: 616.453  Positive charged surface: 261.794  Negative charged surface: 354.658  Volume: 331.5
  Hydrophobic surface: 541.015  Hydrophilic surface: 75.438
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.