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CHEMDIV-ZINC04880459

 MMsINC code: MMs00960122
Type: Neutral
Formula: C18H14ClFN2O4
SMILES:   Clc1cc(OC)c(NC(=O)c2noc(c2)-c2ccc(F)cc2)cc1OC
InChI:   InChI=1/C18H14ClFN2O4/c1-24-16-8-13(17(25-2)7-12(16)19)21-18(23)14-9-15(26-22-14)10-3-5-11(20)6-4-10/h3-9H,1-2H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.771 g/mol  logS: -5.67935  SlogP: 4.4036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119864  Sterimol/B1: 2.4096  Sterimol/B2: 2.51998  Sterimol/B3: 3.09379
  Sterimol/B4: 9.6323  Sterimol/L: 19.2096 
 
 Surface and Volume Properties
  Accessible surface: 613.244  Positive charged surface: 345.53  Negative charged surface: 267.713  Volume: 318.75
  Hydrophobic surface: 533.454  Hydrophilic surface: 79.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.