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ENAMINE-ZINC03248734

 MMsINC code: MMs01329373
Type: Neutral
Formula: C14H20N2O4S2
SMILES:   s1c(ccc1S(=O)(=O)N1CCCC1)CC(=O)N1CCOCC1
InChI:   InChI=1/C14H20N2O4S2/c17-13(15-7-9-20-10-8-15)11-12-3-4-14(21-12)22(18,19)16-5-1-2-6-16/h3-4H,1-2,5-11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.456 g/mol  logS: -2.36184  SlogP: 0.93387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0647995  Sterimol/B1: 2.42141  Sterimol/B2: 3.3676  Sterimol/B3: 5.36161
  Sterimol/B4: 5.62194  Sterimol/L: 16.7628 
 
 Surface and Volume Properties
  Accessible surface: 567.155  Positive charged surface: 396.124  Negative charged surface: 171.031  Volume: 302
  Hydrophobic surface: 465.76  Hydrophilic surface: 101.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.