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ENAMINE-ZINC03206804

 MMsINC code: MMs01306264
Type: Neutral
Formula: C10H21NO3S
SMILES:   S(O)(=O)(=O)CCCCN1CCCCCC1
InChI:   InChI=1/C10H21NO3S/c12-15(13,14)10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2,(H,12,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.0847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 235.348 g/mol  logS: -0.86844  SlogP: 0.9647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0690342  Sterimol/B1: 2.27732  Sterimol/B2: 2.9744  Sterimol/B3: 3.93525
  Sterimol/B4: 4.89371  Sterimol/L: 14.9497 
 
 Surface and Volume Properties
  Accessible surface: 459.891  Positive charged surface: 326.778  Negative charged surface: 133.113  Volume: 223.5
  Hydrophobic surface: 335.915  Hydrophilic surface: 123.976
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.