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NCID-ZINC00641592

 MMsINC code: MMs02217749
Type: Neutral
Formula: C15H12Cl2FNO4
SMILES:   Clc1cc(NC(Oc2ccc(F)cc2Cl)=O)c(OC)cc1OC
InChI:   InChI=1/C15H12Cl2FNO4/c1-21-13-7-14(22-2)11(6-10(13)17)19-15(20)23-12-4-3-8(18)5-9(12)16/h3-7H,1-2H3,(H,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.1327 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.168 g/mol  logS: -5.26044  SlogP: 4.7606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529096  Sterimol/B1: 2.56871  Sterimol/B2: 3.53504  Sterimol/B3: 4.24079
  Sterimol/B4: 8.47142  Sterimol/L: 16.6689 
 
 Surface and Volume Properties
  Accessible surface: 568.452  Positive charged surface: 307.079  Negative charged surface: 261.373  Volume: 291.625
  Hydrophobic surface: 516.15  Hydrophilic surface: 52.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.