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PUBCHEM-ZINC05336483

 MMsINC code: MMs03243606
Type: Neutral
Formula: C16H11Cl2N3O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ncccc1
InChI:   InChI=1/C16H11Cl2N3O2/c1-9-13(16(22)20-12-7-2-3-8-19-12)15(21-23-9)14-10(17)5-4-6-11(14)18/h2-8H,1H3,(H,19,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.8024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.189 g/mol  logS: -5.23149  SlogP: 4.60412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190397  Sterimol/B1: 2.37258  Sterimol/B2: 4.53879  Sterimol/B3: 4.55123
  Sterimol/B4: 9.83807  Sterimol/L: 12.6342 
 
 Surface and Volume Properties
  Accessible surface: 551.185  Positive charged surface: 258.318  Negative charged surface: 292.868  Volume: 295
  Hydrophobic surface: 498.484  Hydrophilic surface: 52.701
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.