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CHEMBLOCK-ZINC06668831

 MMsINC code: MMs00583116
Type: Neutral
Formula: C11H15NO4S2
SMILES:   s1cc(S(=O)(=O)N2CCCCCC2)cc1C(O)=O
InChI:   InChI=1/C11H15NO4S2/c13-11(14)10-7-9(8-17-10)18(15,16)12-5-3-1-2-4-6-12/h7-8H,1-6H2,(H,13,14)

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Potential Energy
Epot(MMFF94)=31.4418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.376 g/mol  logS: -2.03043  SlogP: 2.011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864265  Sterimol/B1: 3.38175  Sterimol/B2: 3.67391  Sterimol/B3: 3.88941
  Sterimol/B4: 4.65002  Sterimol/L: 14.3231 
 
 Surface and Volume Properties
  Accessible surface: 460.69  Positive charged surface: 249.924  Negative charged surface: 210.767  Volume: 241.75
  Hydrophobic surface: 312.056  Hydrophilic surface: 148.634
 
 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


MMs00583117
CHEMBLOCK-ZINC06668831