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ENAMINE-ZINC05127185

 MMsINC code: MMs01590559
Type: Neutral
Formula: C15H18N2O4S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(cc1)C
InChI:   InChI=1/C15H18N2O4S2/c1-12-4-8-14(9-5-12)22(18,19)16-13-6-10-15(11-7-13)23(20,21)17(2)3/h4-11,16H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.451 g/mol  logS: -3.4342  SlogP: 2.04612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0964239  Sterimol/B1: 2.19694  Sterimol/B2: 3.73503  Sterimol/B3: 3.88117
  Sterimol/B4: 8.00925  Sterimol/L: 15.4317 
 
 Surface and Volume Properties
  Accessible surface: 564.018  Positive charged surface: 339.029  Negative charged surface: 224.989  Volume: 308.25
  Hydrophobic surface: 424.593  Hydrophilic surface: 139.425
 
 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.