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CHEMDIV-ZINC03028616

 MMsINC code: MMs00904770
Type: Neutral
Formula: C24H25NO4S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(OCC)=O)Cc1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C24H25NO4S/c1-3-29-24(26)22-15-13-21(14-16-22)18-25(17-20-11-9-19(2)10-12-20)30(27,28)23-7-5-4-6-8-23/h4-16H,3,17-18H2,1-2H3

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Potential Energy
Epot(MMFF94)=75.4486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.533 g/mol  logS: -6.0171  SlogP: 5.09562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0849797  Sterimol/B1: 2.40121  Sterimol/B2: 3.02327  Sterimol/B3: 5.34711
  Sterimol/B4: 9.4652  Sterimol/L: 18.9541 
 
 Surface and Volume Properties
  Accessible surface: 683.865  Positive charged surface: 397.408  Negative charged surface: 286.457  Volume: 407.5
  Hydrophobic surface: 564.753  Hydrophilic surface: 119.112
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.