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ASINEX-ZINC00904092

MMsINC code: MMs00213856

Type: Neutral
Formula: C10H6Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1-c1noc(c1)C(=O)N
InChI:   InChI=1/C10H6Cl2N2O2/c11-5-1-2-6(7(12)3-5)8-4-9(10(13)15)16-14-8/h1-4H,(H2,13,15)

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=45.3867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.076 g/mol  logS: -4.30003  SlogP: 2.7473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000337388  Sterimol/B1: 2.10674  Sterimol/B2: 2.17622  Sterimol/B3: 2.48048
  Sterimol/B4: 6.20863  Sterimol/L: 14.7887 
 
 Surface and Volume Properties
  Accessible surface: 419.657  Positive charged surface: 164.518  Negative charged surface: 255.139  Volume: 202.125
  Hydrophobic surface: 287.249  Hydrophilic surface: 132.408
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.