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ASINEX-ZINC04785701

 MMsINC code: MMs00370818
Type: Neutral
Formula: C22H22F2N2O3
SMILES:   Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCCCCC)ccc1F
InChI:   InChI=1/C22H22F2N2O3/c1-2-3-4-7-12-26-18-9-6-5-8-15(18)20(27)19(22(26)29)21(28)25-14-10-11-16(23)17(24)13-14/h5-6,8-11,13,27H,2-4,7,12H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.615 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.425 g/mol  logS: -6.4539  SlogP: 4.7995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300971  Sterimol/B1: 2.19627  Sterimol/B2: 3.38872  Sterimol/B3: 4.49063
  Sterimol/B4: 9.78851  Sterimol/L: 19.4853 
 
 Surface and Volume Properties
  Accessible surface: 671.883  Positive charged surface: 396.682  Negative charged surface: 275.201  Volume: 366.875
  Hydrophobic surface: 556.806  Hydrophilic surface: 115.077
 
 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.