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PUBCHEM-ZINC01139409

 MMsINC code: MMs02777716
Type: Neutral
Formula: C24H24FN3O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1)c1ccccc1F)C
InChI:   InChI=1/C24H24FN3O4S/c1-17(18-10-4-3-5-11-18)26-24(30)19-12-6-8-14-21(19)27-23(29)16-28(33(2,31)32)22-15-9-7-13-20(22)25/h3-15,17H,16H2,1-2H3,(H,26,30)(H,27,29)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=121.681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.537 g/mol  logS: -5.83109  SlogP: 3.8169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0766154  Sterimol/B1: 2.88369  Sterimol/B2: 3.96557  Sterimol/B3: 5.5043
  Sterimol/B4: 8.05332  Sterimol/L: 20.3749 
 
 Surface and Volume Properties
  Accessible surface: 737.769  Positive charged surface: 402.011  Negative charged surface: 335.757  Volume: 426
  Hydrophobic surface: 613.827  Hydrophilic surface: 123.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.