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CHEMDIV-ZINC03048115

 MMsINC code: MMs00908037
Type: Neutral
Formula: C24H26N2O7S
SMILES:   S(=O)(=O)(N1CCC2(OCCO2)CC1)c1cc2c(oc(C(=O)Nc3ccc(OC)cc3)c2C)
cc1
InChI:   InChI=1/C24H26N2O7S/c1-16-20-15-19(34(28,29)26-11-9-24(10-12-26)31-13-14-32-24)7-8-21(20)33-22(16)23(27)25-17-3-5-18(30-2)6-4-17/h3-8,15H,9-14H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=86.5563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.545 g/mol  logS: -6.11999  SlogP: 3.52972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464053  Sterimol/B1: 2.37237  Sterimol/B2: 4.76317  Sterimol/B3: 5.425
  Sterimol/B4: 6.51926  Sterimol/L: 23.0507 
 
 Surface and Volume Properties
  Accessible surface: 756.683  Positive charged surface: 520.334  Negative charged surface: 230.84  Volume: 430.25
  Hydrophobic surface: 635.221  Hydrophilic surface: 121.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.