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PUBCHEM-ZINC06357516

 MMsINC code: MMs03683865
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-/m0/s1

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Potential Energy
Epot(MMFF94)=65.0919 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: 0.0847873  Sterimol/B1: 3.65602  Sterimol/B2: 3.78288  Sterimol/B3: 4.76728
  Sterimol/B4: 7.39251  Sterimol/L: 17.1397 
 
 Surface and Volume Properties
  Accessible surface: 687.424  Positive charged surface: 396.438  Negative charged surface: 290.986  Volume: 375.375
  Hydrophobic surface: 475.901  Hydrophilic surface: 211.523
 
 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.