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CHEMBRIDGE-ZINC04955795

 MMsINC code: MMs00815104
Type: Neutral
Formula: C15H12Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1C/C(=N/OC(=O)c1ccccc1)/N
InChI:   InChI=1/C15H12Cl2N2O2/c16-12-7-6-11(13(17)9-12)8-14(18)19-21-15(20)10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.8935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.179 g/mol  logS: -5.45828  SlogP: 3.66507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659399  Sterimol/B1: 3.52352  Sterimol/B2: 4.76931  Sterimol/B3: 5.31862
  Sterimol/B4: 5.78253  Sterimol/L: 14.7888 
 
 Surface and Volume Properties
  Accessible surface: 539.059  Positive charged surface: 246.56  Negative charged surface: 292.499  Volume: 278.375
  Hydrophobic surface: 449.793  Hydrophilic surface: 89.266
 
 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.