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ASINEX-ZINC00933006

 MMsINC code: MMs00225643
Type: Neutral
Formula: C26H23FN2O2S
SMILES:   S(CC(=O)N(Cc1ccccc1)c1ccc(F)cc1)c1nc2c(cc1C)cc(OC)cc2
InChI:   InChI=1/C26H23FN2O2S/c1-18-14-20-15-23(31-2)12-13-24(20)28-26(18)32-17-25(30)29(16-19-6-4-3-5-7-19)22-10-8-21(27)9-11-22/h3-15H,16-17H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 446.546 g/mol  logS: -7.47025  SlogP: 6.28282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956998  Sterimol/B1: 1.97327  Sterimol/B2: 3.91021  Sterimol/B3: 5.68088
  Sterimol/B4: 10.9555  Sterimol/L: 18.1582 
 
 Surface and Volume Properties
  Accessible surface: 714.545  Positive charged surface: 425.52  Negative charged surface: 284.268  Volume: 425.25
  Hydrophobic surface: 632.644  Hydrophilic surface: 81.901
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.