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NCID-ZINC01609758

 MMsINC code: MMs02260795
Type: Neutral
Formula: C9H19NO2S
SMILES:   S(=O)(=O)(N1CCCCC1)CCCC
InChI:   InChI=1/C9H19NO2S/c1-2-3-9-13(11,12)10-7-5-4-6-8-10/h2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.43944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.322 g/mol  logS: -1.27293  SlogP: 1.6022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07166  Sterimol/B1: 2.96652  Sterimol/B2: 3.45322  Sterimol/B3: 3.62373
  Sterimol/B4: 3.62622  Sterimol/L: 14.1449 
 
 Surface and Volume Properties
  Accessible surface: 423.206  Positive charged surface: 312.871  Negative charged surface: 110.335  Volume: 204.25
  Hydrophobic surface: 348.191  Hydrophilic surface: 75.015
 
 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.