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ASINEX-ZINC01365278

 MMsINC code: MMs00248501
Type: Neutral
Formula: C22H25F3N2O3
SMILES:   FC(F)(F)C(=O)N(C(C(=O)NC1CCCCC1)c1occc1)Cc1ccc(cc1)C
InChI:   InChI=1/C22H25F3N2O3/c1-15-9-11-16(12-10-15)14-27(21(29)22(23,24)25)19(18-8-5-13-30-18)20(28)26-17-6-3-2-4-7-17/h5,8-13,17,19H,2-4,6-7,14H2,1H3,(H,26,28)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.447 g/mol  logS: -6.14511  SlogP: 5.45092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10972  Sterimol/B1: 2.75409  Sterimol/B2: 4.28247  Sterimol/B3: 6.05805
  Sterimol/B4: 6.84878  Sterimol/L: 17.905 
 
 Surface and Volume Properties
  Accessible surface: 661.427  Positive charged surface: 391.282  Negative charged surface: 270.145  Volume: 382.625
  Hydrophobic surface: 533.447  Hydrophilic surface: 127.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.