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PUBCHEM-ZINC02819777

 MMsINC code: MMs02932418
Type: Neutral
Formula: C10H13NO4S
SMILES:   S(O)(=O)(=O)CCNC(=O)Cc1ccccc1
InChI:   InChI=1/C10H13NO4S/c12-10(11-6-7-16(13,14)15)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,12)(H,13,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.8224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.283 g/mol  logS: -1.61303  SlogP: -0.33263  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0649078  Sterimol/B1: 2.44963  Sterimol/B2: 3.61735  Sterimol/B3: 3.62012
  Sterimol/B4: 4.18002  Sterimol/L: 15.7531 
 
 Surface and Volume Properties
  Accessible surface: 458.953  Positive charged surface: 257.053  Negative charged surface: 201.9  Volume: 214
  Hydrophobic surface: 292.402  Hydrophilic surface: 166.551
 
 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


MMs02932419
PUBCHEM-ZINC02819777