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ENAMINE-ZINC03219974

 MMsINC code: MMs01312790
Type: Neutral
Formula: C24H23F2N3O5S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(=O)Nc1cc(ccc1NCC)C(OCC)=O)c1cc(F)c(F)
cc1
InChI:   InChI=1/C24H23F2N3O5S/c1-3-27-21-11-8-16(24(31)34-4-2)13-22(21)28-23(30)15-6-5-7-17(12-15)29-35(32,33)18-9-10-19(25)20(26)14-18/h5-14,27,29H,3-4H2,1-2H3,(H,28,30)

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Potential Energy
Epot(MMFF94)=106.085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 503.526 g/mol  logS: -6.43928  SlogP: 4.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113696  Sterimol/B1: 2.34481  Sterimol/B2: 5.10015  Sterimol/B3: 5.4308
  Sterimol/B4: 11.1118  Sterimol/L: 18.6819 
 
 Surface and Volume Properties
  Accessible surface: 789.387  Positive charged surface: 442.491  Negative charged surface: 346.896  Volume: 435
  Hydrophobic surface: 578.932  Hydrophilic surface: 210.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.