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ASINEX-ZINC03374975

 MMsINC code: MMs00288631
Type: Neutral
Formula: C10H13NO5S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1OC)C(O)=O
InChI:   InChI=1/C10H13NO5S/c1-11(2)17(14,15)9-6-7(10(12)13)4-5-8(9)16-3/h4-6H,1-3H3,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.0967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.282 g/mol  logS: -1.31822  SlogP: 0.6437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101038  Sterimol/B1: 3.21811  Sterimol/B2: 4.22471  Sterimol/B3: 4.48849
  Sterimol/B4: 5.16218  Sterimol/L: 12.7072 
 
 Surface and Volume Properties
  Accessible surface: 435.087  Positive charged surface: 298.029  Negative charged surface: 137.058  Volume: 218.375
  Hydrophobic surface: 281.534  Hydrophilic surface: 153.553
 
 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


MMs00288632
ASINEX-ZINC03374975