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CHEMBLOCK-ZINC01437060

 MMsINC code: MMs00525296
Type: Neutral
Formula: C22H18F2N2O3
SMILES:   Fc1ccc(cc1)C(O)(C(=O)NN(C(=O)C)c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C22H18F2N2O3/c1-15(27)26(20-5-3-2-4-6-20)25-21(28)22(29,16-7-11-18(23)12-8-16)17-9-13-19(24)14-10-17/h2-14,29H,1H3,(H,25,28)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.393 g/mol  logS: -5.69605  SlogP: 3.5965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192464  Sterimol/B1: 2.55187  Sterimol/B2: 3.07753  Sterimol/B3: 5.38646
  Sterimol/B4: 10.629  Sterimol/L: 15.2048 
 
 Surface and Volume Properties
  Accessible surface: 622.471  Positive charged surface: 312.973  Negative charged surface: 309.498  Volume: 357.125
  Hydrophobic surface: 554.132  Hydrophilic surface: 68.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.