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ENAMINE-ZINC06602432

 MMsINC code: MMs01683607
Type: Neutral
Formula: C18H19N3O6S
SMILES:   S(=O)(=O)(NC(C(=O)NNC(=O)c1ccccc1O)C)c1ccc(cc1)C(=O)C
InChI:   InChI=1/C18H19N3O6S/c1-11(17(24)19-20-18(25)15-5-3-4-6-16(15)23)21-28(26,27)14-9-7-13(8-10-14)12(2)22/h3-11,21,23H,1-2H3,(H,19,24)(H,20,25)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.2405 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.431 g/mol  logS: -3.72535  SlogP: 0.7228  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275752  Sterimol/B1: 2.57542  Sterimol/B2: 4.87071  Sterimol/B3: 5.06594
  Sterimol/B4: 5.61271  Sterimol/L: 20.2169 
 
 Surface and Volume Properties
  Accessible surface: 652.96  Positive charged surface: 338.304  Negative charged surface: 314.656  Volume: 348.875
  Hydrophobic surface: 385.358  Hydrophilic surface: 267.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.