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AURORAFEINCHEMIE-ZINC02552444

 MMsINC code: MMs00454655
Type: Neutral
Formula: C16H13NO4S
SMILES:   S(=O)(=O)(C=1C(=O)N(c2c(cccc2)C=1O)C)c1ccccc1
InChI:   InChI=1/C16H13NO4S/c1-17-13-10-6-5-9-12(13)14(18)15(16(17)19)22(20,21)11-7-3-2-4-8-11/h2-10,18H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.5508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.349 g/mol  logS: -3.78386  SlogP: 2.3635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112414  Sterimol/B1: 1.97048  Sterimol/B2: 3.74997  Sterimol/B3: 4.53264
  Sterimol/B4: 7.35946  Sterimol/L: 14.0151 
 
 Surface and Volume Properties
  Accessible surface: 492.584  Positive charged surface: 272.231  Negative charged surface: 220.353  Volume: 273
  Hydrophobic surface: 392.953  Hydrophilic surface: 99.631
 
 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.