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PUBCHEM-ZINC05944529

 MMsINC code: MMs03455388
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(C(=O)N\N=C\c2ccc(Cl)cc2)c(O)cc1
InChI:   InChI=1/C14H10Cl2N2O2/c15-10-3-1-9(2-4-10)8-17-18-14(20)12-7-11(16)5-6-13(12)19/h1-8,19H,(H,18,20)/b17-8+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.3491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -4.64478  SlogP: 3.4629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00117552  Sterimol/B1: 2.097  Sterimol/B2: 2.23769  Sterimol/B3: 3.90741
  Sterimol/B4: 5.61997  Sterimol/L: 17.6378 
 
 Surface and Volume Properties
  Accessible surface: 527.49  Positive charged surface: 225.629  Negative charged surface: 301.86  Volume: 262.75
  Hydrophobic surface: 416.148  Hydrophilic surface: 111.342
 
 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.