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PUBCHEM-ZINC00569354

 MMsINC code: MMs02705843
Type: Neutral
Formula: C10H10N2O3S
SMILES:   S=C(Nc1ccc(cc1)C(O)=O)NC(=O)C
InChI:   InChI=1/C10H10N2O3S/c1-6(13)11-10(16)12-8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,14,15)(H2,11,12,13,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.267 g/mol  logS: -3.02722  SlogP: 1.2177  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195701  Sterimol/B1: 2.66098  Sterimol/B2: 3.23113  Sterimol/B3: 3.35184
  Sterimol/B4: 4.41068  Sterimol/L: 14.8828 
 
 Surface and Volume Properties
  Accessible surface: 435.948  Positive charged surface: 242.295  Negative charged surface: 193.653  Volume: 206.125
  Hydrophobic surface: 214.143  Hydrophilic surface: 221.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02705844
PUBCHEM-ZINC00569354