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CHEMDIV-ZINC03028570

 MMsINC code: MMs00904756
Type: Neutral
Formula: C26H29NO4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1C)Cc1ccc(cc1)C(OCC)=O)c1cc(ccc1C)C
InChI:   InChI=1/C26H29NO4S/c1-5-31-26(28)23-14-12-22(13-15-23)17-27(18-24-9-7-6-8-20(24)3)32(29,30)25-16-19(2)10-11-21(25)4/h6-16H,5,17-18H2,1-4H3

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Potential Energy
Epot(MMFF94)=135.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 451.587 g/mol  logS: -6.65149  SlogP: 5.71246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.079474  Sterimol/B1: 4.49743  Sterimol/B2: 4.63625  Sterimol/B3: 4.82204
  Sterimol/B4: 8.05381  Sterimol/L: 18.4392 
 
 Surface and Volume Properties
  Accessible surface: 711.249  Positive charged surface: 429.559  Negative charged surface: 281.69  Volume: 436.375
  Hydrophobic surface: 598.608  Hydrophilic surface: 112.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.