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OTAVA-ZINC05030982

 MMsINC code: MMs02587952
Type: Neutral
Formula: C18H16N2O4S2
SMILES:   S1c2c(cccc2)C(=O)C(C(=O)NCCOC)=C1NC(=O)c1sccc1
InChI:   InChI=1/C18H16N2O4S2/c1-24-9-8-19-17(23)14-15(21)11-5-2-3-6-12(11)26-18(14)20-16(22)13-7-4-10-25-13/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,22)

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Potential Energy
Epot(MMFF94)=91.7901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.468 g/mol  logS: -4.96359  SlogP: 2.4407  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0964741  Sterimol/B1: 2.15546  Sterimol/B2: 2.1847  Sterimol/B3: 6.13282
  Sterimol/B4: 11.8296  Sterimol/L: 15.7059 
 
 Surface and Volume Properties
  Accessible surface: 634.682  Positive charged surface: 361.119  Negative charged surface: 273.563  Volume: 338.875
  Hydrophobic surface: 498.778  Hydrophilic surface: 135.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.