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ASINEX-ZINC00251367

 MMsINC code: MMs00099740
Type: Neutral
Formula: C20H17FN2O2
SMILES:   Fc1ccc(NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C20H17FN2O2/c21-17-11-13-18(14-12-17)22-23-19(24)20(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,22,25H,(H,23,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.366 g/mol  logS: -4.9125  SlogP: 3.5164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146922  Sterimol/B1: 2.51151  Sterimol/B2: 3.51508  Sterimol/B3: 4.21299
  Sterimol/B4: 8.59191  Sterimol/L: 16.0027 
 
 Surface and Volume Properties
  Accessible surface: 585.94  Positive charged surface: 298.715  Negative charged surface: 287.225  Volume: 316.25
  Hydrophobic surface: 521.592  Hydrophilic surface: 64.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.