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CHEMDIV-ZINC01234538

 MMsINC code: MMs00864598
Type: Neutral
Formula: C26H24N2O4S2
SMILES:   S(=O)(=O)(NCc1ccccc1)c1ccc(cc1)-c1ccc(S(=O)(=O)NCc2ccccc2)cc
1
InChI:   InChI=1/C26H24N2O4S2/c29-33(30,27-19-21-7-3-1-4-8-21)25-15-11-23(12-16-25)24-13-17-26(18-14-24)34(31,32)28-20-22-9-5-2-6-10-22/h1-18,27-28H,19-20H2

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Potential Energy
Epot(MMFF94)=51.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.62 g/mol  logS: -7.02302  SlogP: 4.8434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431438  Sterimol/B1: 2.37546  Sterimol/B2: 3.98568  Sterimol/B3: 4.04765
  Sterimol/B4: 8.3269  Sterimol/L: 21.9585 
 
 Surface and Volume Properties
  Accessible surface: 804.339  Positive charged surface: 377.312  Negative charged surface: 414.051  Volume: 446.5
  Hydrophobic surface: 635.065  Hydrophilic surface: 169.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.