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PUBCHEM-ZINC06824999

 MMsINC code: MMs03869368
Type: Neutral
Formula: C18H13Cl2NO3
SMILES:   Clc1cccc(Cl)c1COC(=O)c1c(noc1C)-c1ccccc1
InChI:   InChI=1/C18H13Cl2NO3/c1-11-16(17(21-24-11)12-6-3-2-4-7-12)18(22)23-10-13-14(19)8-5-9-15(13)20/h2-9H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.698 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.212 g/mol  logS: -6.35801  SlogP: 5.58022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665146  Sterimol/B1: 2.41033  Sterimol/B2: 2.94017  Sterimol/B3: 4.09861
  Sterimol/B4: 9.73889  Sterimol/L: 14.5453 
 
 Surface and Volume Properties
  Accessible surface: 551.602  Positive charged surface: 227.116  Negative charged surface: 324.486  Volume: 314.625
  Hydrophobic surface: 488.106  Hydrophilic surface: 63.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.