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ENAMINE-ZINC05615540

 MMsINC code: MMs01627930
Type: Neutral
Formula: C19H20N2O5S
SMILES:   S(=O)(=O)(N(C)C)c1cc(NC(=O)c2oc3c(cccc3)c2C)c(OC)cc1
InChI:   InChI=1/C19H20N2O5S/c1-12-14-7-5-6-8-16(14)26-18(12)19(22)20-15-11-13(9-10-17(15)25-4)27(23,24)21(2)3/h5-11H,1-4H3,(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.444 g/mol  logS: -5.07753  SlogP: 3.25242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618135  Sterimol/B1: 2.12527  Sterimol/B2: 3.02271  Sterimol/B3: 5.2719
  Sterimol/B4: 9.19096  Sterimol/L: 17.7929 
 
 Surface and Volume Properties
  Accessible surface: 638.577  Positive charged surface: 431.678  Negative charged surface: 201.431  Volume: 349.375
  Hydrophobic surface: 536.647  Hydrophilic surface: 101.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.