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ASINEX-ZINC03157607

 MMsINC code: MMs00287266
Type: Neutral
Formula: C11H6Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C11H6Cl2N2O3/c12-6-2-1-5(8(13)4-6)3-7-9(16)14-11(18)15-10(7)17/h1-4H,(H2,14,15,16,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.17249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.086 g/mol  logS: -4.27968  SlogP: 1.7428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675886  Sterimol/B1: 2.21726  Sterimol/B2: 2.43697  Sterimol/B3: 4.04
  Sterimol/B4: 6.03522  Sterimol/L: 13.5854 
 
 Surface and Volume Properties
  Accessible surface: 435.972  Positive charged surface: 172.9  Negative charged surface: 263.073  Volume: 218
  Hydrophobic surface: 251.895  Hydrophilic surface: 184.077
 
 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.