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PUBCHEM-ZINC00580622

 MMsINC code: MMs02709509
Type: Neutral
Formula: C14H10Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C(=O)N\N=C\c1ccc(O)cc1O
InChI:   InChI=1/C14H10Cl2N2O3/c15-9-2-4-11(12(16)5-9)14(21)18-17-7-8-1-3-10(19)6-13(8)20/h1-7,19-20H,(H,18,21)/b17-7+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.151 g/mol  logS: -4.28283  SlogP: 3.1685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00258285  Sterimol/B1: 2.0971  Sterimol/B2: 2.22665  Sterimol/B3: 2.87186
  Sterimol/B4: 6.17567  Sterimol/L: 18.2582 
 
 Surface and Volume Properties
  Accessible surface: 529.878  Positive charged surface: 249.767  Negative charged surface: 280.111  Volume: 269.5
  Hydrophobic surface: 385.377  Hydrophilic surface: 144.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.