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CHEMDIV-ZINC01141695

 MMsINC code: MMs00863192
Type: Neutral
Formula: C20H20FNO3S
SMILES:   S(=O)(=O)(NCCC(c1ccc(F)cc1)c1occc1)c1ccc(cc1)C
InChI:   InChI=1/C20H20FNO3S/c1-15-4-10-18(11-5-15)26(23,24)22-13-12-19(20-3-2-14-25-20)16-6-8-17(21)9-7-16/h2-11,14,19,22H,12-13H2,1H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=40.7238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.448 g/mol  logS: -5.41693  SlogP: 4.22762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0979481  Sterimol/B1: 3.8247  Sterimol/B2: 3.86537  Sterimol/B3: 3.96344
  Sterimol/B4: 7.34158  Sterimol/L: 17.6693 
 
 Surface and Volume Properties
  Accessible surface: 629.615  Positive charged surface: 325.823  Negative charged surface: 303.792  Volume: 342.75
  Hydrophobic surface: 546.097  Hydrophilic surface: 83.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.