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CHEMDIV-ZINC03031858

 MMsINC code: MMs00905685
Type: Neutral
Formula: C24H25FN2O3S
SMILES:   S(=O)(=O)(NC(CCc1ccccc1)C)c1cc(C(=O)Nc2cc(ccc2)C)c(F)cc1
InChI:   InChI=1/C24H25FN2O3S/c1-17-7-6-10-20(15-17)26-24(28)22-16-21(13-14-23(22)25)31(29,30)27-18(2)11-12-19-8-4-3-5-9-19/h3-10,13-16,18,27H,11-12H2,1-2H3,(H,26,28)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.8426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.539 g/mol  logS: -6.3201  SlogP: 4.68599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155831  Sterimol/B1: 2.30396  Sterimol/B2: 6.07165  Sterimol/B3: 7.19122
  Sterimol/B4: 7.40838  Sterimol/L: 17.097 
 
 Surface and Volume Properties
  Accessible surface: 717.401  Positive charged surface: 392.012  Negative charged surface: 325.389  Volume: 410.25
  Hydrophobic surface: 587.739  Hydrophilic surface: 129.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.