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CHEMBRIDGE-ZINC00295281

 MMsINC code: MMs00602880
Type: Neutral
Formula: C14H11ClF2N2O2
SMILES:   Clc1ccc(NC(=O)Nc2ccccc2OC(F)F)cc1
InChI:   InChI=1/C14H11ClF2N2O2/c15-9-5-7-10(8-6-9)18-14(20)19-11-3-1-2-4-12(11)21-13(16)17/h1-8,13H,(H2,18,19,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.33 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.703 g/mol  logS: -4.12059  SlogP: 5.0053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440954  Sterimol/B1: 2.41179  Sterimol/B2: 2.52635  Sterimol/B3: 3.95505
  Sterimol/B4: 6.94426  Sterimol/L: 16.0402 
 
 Surface and Volume Properties
  Accessible surface: 510.475  Positive charged surface: 242.179  Negative charged surface: 268.297  Volume: 257.625
  Hydrophobic surface: 372.352  Hydrophilic surface: 138.123
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.