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PUBCHEM-ZINC01051727

 MMsINC code: MMs02761380
Type: Neutral
Formula: C24H21FN2O4S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1ccc(NC(=O)c2oc3c(cc(F)cc3)c2C)cc1
InChI:   InChI=1/C24H21FN2O4S/c1-3-27(19-7-5-4-6-8-19)32(29,30)20-12-10-18(11-13-20)26-24(28)23-16(2)21-15-17(25)9-14-22(21)31-23/h4-15H,3H2,1-2H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=110.585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.506 g/mol  logS: -7.4732  SlogP: 5.34782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649345  Sterimol/B1: 2.56096  Sterimol/B2: 3.92561  Sterimol/B3: 5.24188
  Sterimol/B4: 7.39009  Sterimol/L: 20.2538 
 
 Surface and Volume Properties
  Accessible surface: 694.623  Positive charged surface: 366.056  Negative charged surface: 322.873  Volume: 401.5
  Hydrophobic surface: 577.393  Hydrophilic surface: 117.23
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.