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ENAMINE-ZINC03492099

 MMsINC code: MMs01471948
Type: Neutral
Formula: C26H26N2O5S
SMILES:   S(=O)(=O)(N(CC)c1ccccc1)c1cc(ccc1C)C(OCC(=O)N1CCc2c1cccc2)=O
InChI:   InChI=1/C26H26N2O5S/c1-3-28(22-10-5-4-6-11-22)34(31,32)24-17-21(14-13-19(24)2)26(30)33-18-25(29)27-16-15-20-9-7-8-12-23(20)27/h4-14,17H,3,15-16,18H2,1-2H3

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Potential Energy
Epot(MMFF94)=144.963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.569 g/mol  logS: -6.06602  SlogP: 3.95629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749256  Sterimol/B1: 2.56391  Sterimol/B2: 5.71962  Sterimol/B3: 7.12555
  Sterimol/B4: 7.48576  Sterimol/L: 17.2961 
 
 Surface and Volume Properties
  Accessible surface: 738.508  Positive charged surface: 434.417  Negative charged surface: 304.091  Volume: 440.125
  Hydrophobic surface: 610.817  Hydrophilic surface: 127.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.