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PUBCHEM-ZINC02852740

 MMsINC code: MMs02939276
Type: Neutral
Formula: C23H23FN2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NC(C)c1ccccc1)c1ccc(OC)cc1)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O4S/c1-17(18-6-4-3-5-7-18)25-23(27)16-26(20-10-12-21(30-2)13-11-20)31(28,29)22-14-8-19(24)9-15-22/h3-15,17H,16H2,1-2H3,(H,25,27)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.8853 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.511 g/mol  logS: -5.73534  SlogP: 4.0025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148191  Sterimol/B1: 2.40524  Sterimol/B2: 3.1963  Sterimol/B3: 7.01247
  Sterimol/B4: 8.58315  Sterimol/L: 17.9202 
 
 Surface and Volume Properties
  Accessible surface: 694.341  Positive charged surface: 393.956  Negative charged surface: 300.386  Volume: 402.625
  Hydrophobic surface: 590.033  Hydrophilic surface: 104.308
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.