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ENAMINE-ZINC03294541

 MMsINC code: MMs01355118
Type: Neutral
Formula: C23H24N2O5S2
SMILES:   s1c2c(nc1CCC(OCC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)=O)cccc2
InChI:   InChI=1/C23H24N2O5S2/c26-20(16-30-23(27)13-12-22-24-19-6-2-3-7-21(19)31-22)17-8-10-18(11-9-17)32(28,29)25-14-4-1-5-15-25/h2-3,6-11H,1,4-5,12-16H2

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Potential Energy
Epot(MMFF94)=59.8625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.586 g/mol  logS: -4.99389  SlogP: 3.82957  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0265756  Sterimol/B1: 3.62618  Sterimol/B2: 3.76796  Sterimol/B3: 4.27067
  Sterimol/B4: 4.97021  Sterimol/L: 25.1342 
 
 Surface and Volume Properties
  Accessible surface: 764.649  Positive charged surface: 449.144  Negative charged surface: 315.505  Volume: 419.625
  Hydrophobic surface: 616.287  Hydrophilic surface: 148.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.