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ASINEX-ZINC00304577

 MMsINC code: MMs00114737
Type: Neutral
Formula: C9H19NO2S
SMILES:   S(=O)(=O)(N(CC)C1CCCCC1)C
InChI:   InChI=1/C9H19NO2S/c1-3-10(13(2,11)12)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.7426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.322 g/mol  logS: -1.27293  SlogP: 1.6006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.218978  Sterimol/B1: 2.2274  Sterimol/B2: 2.89444  Sterimol/B3: 4.36429
  Sterimol/B4: 6.78105  Sterimol/L: 10.8515 
 
 Surface and Volume Properties
  Accessible surface: 394.541  Positive charged surface: 265.484  Negative charged surface: 129.057  Volume: 200.875
  Hydrophobic surface: 316.578  Hydrophilic surface: 77.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.