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ENAMINE-ZINC03559682

 MMsINC code: MMs01508274
Type: Neutral
Formula: C20H24N2O4S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(=O)NC1CCC(O)CC1
InChI:   InChI=1/C20H24N2O4S/c1-22(17-5-3-2-4-6-17)27(25,26)19-13-7-15(8-14-19)20(24)21-16-9-11-18(23)12-10-16/h2-8,13-14,16,18,23H,9-12H2,1H3,(H,21,24)/t16-,18-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.488 g/mol  logS: -4.02181  SlogP: 2.545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049171  Sterimol/B1: 2.38987  Sterimol/B2: 3.03162  Sterimol/B3: 4.95398
  Sterimol/B4: 6.99124  Sterimol/L: 20.3167 
 
 Surface and Volume Properties
  Accessible surface: 644.186  Positive charged surface: 402.552  Negative charged surface: 241.635  Volume: 361.125
  Hydrophobic surface: 505.237  Hydrophilic surface: 138.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.