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PUBCHEM-ZINC06357521

 MMsINC code: MMs03683870
Type: Neutral
Formula: C20H25FN2O4S
SMILES:   S(=O)(=O)(NC(C(=O)NCc1ccc(F)cc1)CO)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C20H25FN2O4S/c1-20(2,3)15-6-10-17(11-7-15)28(26,27)23-18(13-24)19(25)22-12-14-4-8-16(21)9-5-14/h4-11,18,23-24H,12-13H2,1-3H3,(H,22,25)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=66.9557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.494 g/mol  logS: -5.27535  SlogP: 2.3452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0726926  Sterimol/B1: 3.77762  Sterimol/B2: 4.30187  Sterimol/B3: 4.3908
  Sterimol/B4: 6.75915  Sterimol/L: 18.1296 
 
 Surface and Volume Properties
  Accessible surface: 676.329  Positive charged surface: 386.744  Negative charged surface: 289.585  Volume: 374
  Hydrophobic surface: 457.6  Hydrophilic surface: 218.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.