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AURORAFEINCHEMIE-ZINC06779294

 MMsINC code: MMs00481281
Type: Neutral
Formula: C18H18N2O4S2
SMILES:   S(C)c1ccc(cc1)COC(=O)C(NC1=NS(=O)(=O)c2c1cccc2)C
InChI:   InChI=1/C18H18N2O4S2/c1-12(18(21)24-11-13-7-9-14(25-2)10-8-13)19-17-15-5-3-4-6-16(15)26(22,23)20-17/h3-10,12H,11H2,1-2H3,(H,19,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=66.4384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.484 g/mol  logS: -5.55191  SlogP: 2.8453  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471243  Sterimol/B1: 1.969  Sterimol/B2: 4.0672  Sterimol/B3: 5.04219
  Sterimol/B4: 5.48801  Sterimol/L: 20.7704 
 
 Surface and Volume Properties
  Accessible surface: 652.42  Positive charged surface: 318.695  Negative charged surface: 333.725  Volume: 340.875
  Hydrophobic surface: 450.208  Hydrophilic surface: 202.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.