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PUBCHEM-ZINC01928192

 MMsINC code: MMs02831324
Type: Neutral
Formula: C18H14Cl2N2O3
SMILES:   ClC1=C(Nc2cc(Cl)ccc2O)C(=O)N(C1=O)c1cc(cc(c1)C)C
InChI:   InChI=1/C18H14Cl2N2O3/c1-9-5-10(2)7-12(6-9)22-17(24)15(20)16(18(22)25)21-13-8-11(19)3-4-14(13)23/h3-8,21,23H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.3886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.227 g/mol  logS: -6.33031  SlogP: 4.20704  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0634324  Sterimol/B1: 2.00608  Sterimol/B2: 2.55099  Sterimol/B3: 5.76942
  Sterimol/B4: 9.16966  Sterimol/L: 16.0136 
 
 Surface and Volume Properties
  Accessible surface: 599.12  Positive charged surface: 272.288  Negative charged surface: 326.832  Volume: 321.625
  Hydrophobic surface: 483.406  Hydrophilic surface: 115.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.