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ASINEX-ZINC00860548

 MMsINC code: MMs00196875
Type: Neutral
Formula: C18H14Cl2N2O4
SMILES:   Clc1cc(NC(=O)CN(C(=O)c2occc2)Cc2occc2)ccc1Cl
InChI:   InChI=1/C18H14Cl2N2O4/c19-14-6-5-12(9-15(14)20)21-17(23)11-22(10-13-3-1-7-25-13)18(24)16-4-2-8-26-16/h1-9H,10-11H2,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.7158 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.226 g/mol  logS: -6.16107  SlogP: 4.7269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948601  Sterimol/B1: 3.26829  Sterimol/B2: 3.38177  Sterimol/B3: 3.91083
  Sterimol/B4: 8.51702  Sterimol/L: 17.4159 
 
 Surface and Volume Properties
  Accessible surface: 614.852  Positive charged surface: 270.221  Negative charged surface: 344.631  Volume: 333.875
  Hydrophobic surface: 539.377  Hydrophilic surface: 75.475
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.