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ENAMINE-ZINC03426496

 MMsINC code: MMs01434798
Type: Neutral
Formula: C24H32N2O5S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1C)C(OCC(=O)N(Cc1ccccc1)C(C)C)=O
InChI:   InChI=1/C24H32N2O5S/c1-6-25(7-2)32(29,30)22-15-21(14-13-19(22)5)24(28)31-17-23(27)26(18(3)4)16-20-11-9-8-10-12-20/h8-15,18H,6-7,16-17H2,1-5H3

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Potential Energy
Epot(MMFF94)=90.621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.595 g/mol  logS: -4.98396  SlogP: 3.88592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749333  Sterimol/B1: 2.37905  Sterimol/B2: 3.34855  Sterimol/B3: 6.45288
  Sterimol/B4: 8.16049  Sterimol/L: 18.3494 
 
 Surface and Volume Properties
  Accessible surface: 752.168  Positive charged surface: 463.38  Negative charged surface: 288.788  Volume: 444
  Hydrophobic surface: 570.1  Hydrophilic surface: 182.068
 
 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.