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NCID-ZINC01661760

 MMsINC code: MMs02298727
Type: Neutral
Formula: C16H10N2O5S
SMILES:   S(O)(=O)(=O)c1cc\2c(NC(=O)/C/2=C/2\Nc3c(cccc3)C\2=O)cc1
InChI:   InChI=1/C16H10N2O5S/c19-15-9-3-1-2-4-11(9)17-14(15)13-10-7-8(24(21,22)23)5-6-12(10)18-16(13)20/h1-7,17H,(H,18,20)(H,21,22,23)/b14-13+

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Potential Energy
Epot(MMFF94)=93.8128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.331 g/mol  logS: -4.38495  SlogP: 1.3392  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0108439  Sterimol/B1: 2.64179  Sterimol/B2: 2.94526  Sterimol/B3: 4.55056
  Sterimol/B4: 6.26657  Sterimol/L: 14.8864 
 
 Surface and Volume Properties
  Accessible surface: 525.219  Positive charged surface: 253.64  Negative charged surface: 271.579  Volume: 274.25
  Hydrophobic surface: 288.239  Hydrophilic surface: 236.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02298728
NCID-ZINC01661760