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MAYBRIDGE-ZINC00139849

MMsINC code: MMs02139212

Type: Neutral
Formula: C13H7Cl2F2NO2
SMILES:   Clc1cc(Cl)cc(C(=O)Nc2ccc(F)cc2F)c1O
InChI:   InChI=1/C13H7Cl2F2NO2/c14-6-3-8(12(19)9(15)4-6)13(20)18-11-2-1-7(16)5-10(11)17/h1-5,19H,(H,18,20)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=69.5559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.106 g/mol  logS: -5.05146  SlogP: 4.2295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017243  Sterimol/B1: 2.097  Sterimol/B2: 2.96144  Sterimol/B3: 3.02745
  Sterimol/B4: 6.39173  Sterimol/L: 14.7444 
 
 Surface and Volume Properties
  Accessible surface: 483.734  Positive charged surface: 175.589  Negative charged surface: 308.145  Volume: 241.625
  Hydrophobic surface: 418.266  Hydrophilic surface: 65.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.