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CHEMDIV-ZINC03907774

 MMsINC code: MMs00919834
Type: Neutral
Formula: C16H10Cl2N2O3
SMILES:   Clc1ccc(Cl)cc1NC(=O)c1noc(c1)-c1ccc(O)cc1
InChI:   InChI=1/C16H10Cl2N2O3/c17-10-3-6-12(18)13(7-10)19-16(22)14-8-15(23-20-14)9-1-4-11(21)5-2-9/h1-8,21H,(H,19,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.2873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.173 g/mol  logS: -5.65595  SlogP: 4.6063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0065162  Sterimol/B1: 2.46046  Sterimol/B2: 3.13396  Sterimol/B3: 3.66291
  Sterimol/B4: 6.3486  Sterimol/L: 18.3291 
 
 Surface and Volume Properties
  Accessible surface: 555.574  Positive charged surface: 224.716  Negative charged surface: 330.858  Volume: 288
  Hydrophobic surface: 437.893  Hydrophilic surface: 117.681
 
 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.