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PUBCHEM-ZINC05820528

 MMsINC code: MMs03399513
Type: Neutral
Formula: C10H23NO3S2
SMILES:   S(S(O)(=O)=O)CCNC(CCCCCC)C
InChI:   InChI=1/C10H23NO3S2/c1-3-4-5-6-7-10(2)11-8-9-15-16(12,13)14/h10-11H,3-9H2,1-2H3,(H,12,13,14)/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.8584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.43 g/mol  logS: -3.3989  SlogP: 1.9052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0654939  Sterimol/B1: 3.17435  Sterimol/B2: 3.61966  Sterimol/B3: 3.99414
  Sterimol/B4: 7.16666  Sterimol/L: 15.265 
 
 Surface and Volume Properties
  Accessible surface: 530.598  Positive charged surface: 343.564  Negative charged surface: 187.034  Volume: 255.625
  Hydrophobic surface: 320.898  Hydrophilic surface: 209.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.