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OTAVA-ZINC00948873

 MMsINC code: MMs02557478
Type: Neutral
Formula: C24H27NO5S2
SMILES:   S(=O)(=O)(c1c(C)c(NS(=O)(=O)c2ccc(cc2)C)cc(C(C)C)c1O)c1ccc(c
c1)C
InChI:   InChI=1/C24H27NO5S2/c1-15(2)21-14-22(25-32(29,30)20-12-8-17(4)9-13-20)18(5)24(23(21)26)31(27,28)19-10-6-16(3)7-11-19/h6-15,25-26H,1-5H3

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Potential Energy
Epot(MMFF94)=111.368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.614 g/mol  logS: -6.94854  SlogP: 5.07446  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.391035  Sterimol/B1: 3.74453  Sterimol/B2: 6.20274  Sterimol/B3: 6.61668
  Sterimol/B4: 6.86404  Sterimol/L: 14.5182 
 
 Surface and Volume Properties
  Accessible surface: 687.739  Positive charged surface: 370.471  Negative charged surface: 317.268  Volume: 429.75
  Hydrophobic surface: 511.022  Hydrophilic surface: 176.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.