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CHEMDIV-ZINC03028663

 MMsINC code: MMs00904784
Type: Neutral
Formula: C32H30F2N2O5S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(OCC)=O)Cc1ccc(F)cc1)c1cc(C(=O)Nc2cc
cc(C)c2C)c(F)cc1
InChI:   InChI=1/C32H30F2N2O5S/c1-4-41-32(38)25-12-8-23(9-13-25)19-36(20-24-10-14-26(33)15-11-24)42(39,40)27-16-17-29(34)28(18-27)31(37)35-30-7-5-6-21(2)22(30)3/h5-18H,4,19-20H2,1-3H3,(H,35,37)

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Potential Energy
Epot(MMFF94)=124.003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 592.663 g/mol  logS: -8.73752  SlogP: 6.93454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154304  Sterimol/B1: 2.2474  Sterimol/B2: 4.38972  Sterimol/B3: 6.34847
  Sterimol/B4: 13.0342  Sterimol/L: 20.029 
 
 Surface and Volume Properties
  Accessible surface: 852.345  Positive charged surface: 457.223  Negative charged surface: 395.122  Volume: 538.625
  Hydrophobic surface: 717.08  Hydrophilic surface: 135.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.