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CHEMDIV-ZINC03047724

 MMsINC code: MMs00907909
Type: Neutral
Formula: C20H21FN2O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc2c(oc(C(=O)Nc3ccc(F)cc3)c2C)cc1
InChI:   InChI=1/C20H21FN2O4S/c1-4-23(5-2)28(25,26)16-10-11-18-17(12-16)13(3)19(27-18)20(24)22-15-8-6-14(21)7-9-15/h6-12H,4-5H2,1-3H3,(H,22,24)

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Potential Energy
Epot(MMFF94)=58.3356 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.462 g/mol  logS: -5.97655  SlogP: 4.16312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0454923  Sterimol/B1: 2.2245  Sterimol/B2: 2.79055  Sterimol/B3: 5.57243
  Sterimol/B4: 6.26647  Sterimol/L: 20.2265 
 
 Surface and Volume Properties
  Accessible surface: 645.17  Positive charged surface: 366.169  Negative charged surface: 274.142  Volume: 362.25
  Hydrophobic surface: 507.171  Hydrophilic surface: 137.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.