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CHEMDIV-ZINC02938210

 MMsINC code: MMs00894240
Type: Neutral
Formula: C23H23FN2O3S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCc1ccc(cc1)C)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O3S/c1-17-7-9-19(10-8-17)16-25-23(27)22(15-18-5-3-2-4-6-18)26-30(28,29)21-13-11-20(24)12-14-21/h2-14,22,26H,15-16H2,1H3,(H,25,27)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.1672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.512 g/mol  logS: -5.7616  SlogP: 3.60649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144499  Sterimol/B1: 3.59716  Sterimol/B2: 4.33908  Sterimol/B3: 5.11542
  Sterimol/B4: 6.85524  Sterimol/L: 17.7851 
 
 Surface and Volume Properties
  Accessible surface: 665.826  Positive charged surface: 369.084  Negative charged surface: 296.742  Volume: 395
  Hydrophobic surface: 560.593  Hydrophilic surface: 105.233
 
 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.