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ENAMINE-ZINC03254646

 MMsINC code: MMs01332749
Type: Neutral
Formula: C26H24N2O4S2
SMILES:   s1cccc1S(=O)(=O)N(C)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc1
InChI:   InChI=1/C26H24N2O4S2/c1-28(34(30,31)25-13-8-18-33-25)22-14-16-23(17-15-22)32-19-24(29)27-26(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-18,26H,19H2,1H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=139.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.62 g/mol  logS: -6.84606  SlogP: 4.9533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619041  Sterimol/B1: 2.89617  Sterimol/B2: 3.29277  Sterimol/B3: 6.0159
  Sterimol/B4: 7.91995  Sterimol/L: 19.1624 
 
 Surface and Volume Properties
  Accessible surface: 778.77  Positive charged surface: 399.877  Negative charged surface: 378.893  Volume: 449.625
  Hydrophobic surface: 679.004  Hydrophilic surface: 99.766
 
 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: 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.