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NCID-ZINC01732375

 MMsINC code: MMs02355143
Type: Neutral
Formula: C6H15NO2S
SMILES:   S(=O)(=O)(N(CC)CC)CC
InChI:   InChI=1/C6H15NO2S/c1-4-7(5-2)10(8,9)6-3/h4-6H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-4.14591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 165.257 g/mol  logS: -0.45621  SlogP: 0.6779  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179134  Sterimol/B1: 2.45885  Sterimol/B2: 2.59334  Sterimol/B3: 4.15647
  Sterimol/B4: 6.21022  Sterimol/L: 10.2601 
 
 Surface and Volume Properties
  Accessible surface: 352.681  Positive charged surface: 232.434  Negative charged surface: 120.247  Volume: 162.375
  Hydrophobic surface: 235.676  Hydrophilic surface: 117.005
 
 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.