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ENAMINE-ZINC03331981

 MMsINC code: MMs01377323
Type: Neutral
Formula: C15H24N2O4S
SMILES:   S(=O)(=O)(N(CC(=O)NC(C)C)CC)c1ccc(OCC)cc1
InChI:   InChI=1/C15H24N2O4S/c1-5-17(11-15(18)16-12(3)4)22(19,20)14-9-7-13(8-10-14)21-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.9283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.433 g/mol  logS: -2.83023  SlogP: 1.6205  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607082  Sterimol/B1: 2.55053  Sterimol/B2: 2.64595  Sterimol/B3: 5.33529
  Sterimol/B4: 7.00784  Sterimol/L: 18.7938 
 
 Surface and Volume Properties
  Accessible surface: 593.846  Positive charged surface: 387.443  Negative charged surface: 206.402  Volume: 314.25
  Hydrophobic surface: 412.727  Hydrophilic surface: 181.119
 
 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.