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CHEMDIV-ZINC06859552

 MMsINC code: MMs01048041
Type: Neutral
Formula: C20H20N2O3S2
SMILES:   s1cc(S(=O)(=O)N(Cc2ccccc2)CCc2ccccc2)cc1C(=O)N
InChI:   InChI=1/C20H20N2O3S2/c21-20(23)19-13-18(15-26-19)27(24,25)22(14-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H2,21,23)

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Potential Energy
Epot(MMFF94)=52.0385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.523 g/mol  logS: -4.9545  SlogP: 3.54697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121052  Sterimol/B1: 2.28663  Sterimol/B2: 3.36135  Sterimol/B3: 4.58084
  Sterimol/B4: 12.0411  Sterimol/L: 14.5511 
 
 Surface and Volume Properties
  Accessible surface: 629.326  Positive charged surface: 304.374  Negative charged surface: 324.951  Volume: 365.375
  Hydrophobic surface: 472.919  Hydrophilic surface: 156.407
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.