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ENAMINE-ZINC03452014

 MMsINC code: MMs01451311
Type: Neutral
Formula: C24H23F3N2O3S
SMILES:   S(=O)(=O)(N(CCC(=O)Nc1cc(ccc1)C)c1ccc(cc1)C)c1cc(ccc1)C(F)(F
)F
InChI:   InChI=1/C24H23F3N2O3S/c1-17-9-11-21(12-10-17)29(14-13-23(30)28-20-7-3-5-18(2)15-20)33(31,32)22-8-4-6-19(16-22)24(25,26)27/h3-12,15-16H,13-14H2,1-2H3,(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.519 g/mol  logS: -7.00504  SlogP: 5.85784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598785  Sterimol/B1: 2.10133  Sterimol/B2: 4.09906  Sterimol/B3: 4.79983
  Sterimol/B4: 11.7381  Sterimol/L: 19.3064 
 
 Surface and Volume Properties
  Accessible surface: 730.77  Positive charged surface: 352.544  Negative charged surface: 378.226  Volume: 415.25
  Hydrophobic surface: 542.38  Hydrophilic surface: 188.39
 
 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.