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ASINEX-ZINC01732319

 MMsINC code: MMs00255937
Type: Neutral
Formula: C10H9NO5S
SMILES:   S(O)(=O)(=O)CCN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C10H9NO5S/c12-9-7-3-1-2-4-8(7)10(13)11(9)5-6-17(14,15)16/h1-4H,5-6H2,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=5.41178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.25 g/mol  logS: -1.95528  SlogP: -0.3953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493992  Sterimol/B1: 2.85134  Sterimol/B2: 3.29451  Sterimol/B3: 3.30643
  Sterimol/B4: 4.68906  Sterimol/L: 13.8357 
 
 Surface and Volume Properties
  Accessible surface: 432.395  Positive charged surface: 203.054  Negative charged surface: 229.341  Volume: 203.625
  Hydrophobic surface: 230.766  Hydrophilic surface: 201.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00255938
ASINEX-ZINC01732319