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ENAMINE-ZINC03608278

 MMsINC code: MMs01523201
Type: Neutral
Formula: C23H21FN2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1F)C(=O)Nc1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C23H21FN2O4S/c24-21-11-8-19(16-22(21)31(28,29)26-12-14-30-15-13-26)23(27)25-20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-11,16H,12-15H2,(H,25,27)

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Potential Energy
Epot(MMFF94)=109.66 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.495 g/mol  logS: -6.28127  SlogP: 3.7659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0331715  Sterimol/B1: 3.15758  Sterimol/B2: 3.55186  Sterimol/B3: 4.3821
  Sterimol/B4: 6.57642  Sterimol/L: 22.2405 
 
 Surface and Volume Properties
  Accessible surface: 686.211  Positive charged surface: 382.119  Negative charged surface: 293.834  Volume: 389.75
  Hydrophobic surface: 581.583  Hydrophilic surface: 104.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.