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NCID-ZINC01671858

 MMsINC code: MMs02307957
Type: Neutral
Formula: C4H11NO3S
SMILES:   S(O)(=O)(=O)CCN(C)C
InChI:   InChI=1/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.542058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.202 g/mol  logS: 0.49102  SlogP: -1.1299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0971146  Sterimol/B1: 2.13302  Sterimol/B2: 3.08274  Sterimol/B3: 3.35837
  Sterimol/B4: 4.79028  Sterimol/L: 10.7934 
 
 Surface and Volume Properties
  Accessible surface: 324.904  Positive charged surface: 227.952  Negative charged surface: 96.9527  Volume: 131.375
  Hydrophobic surface: 197.87  Hydrophilic surface: 127.034
 
 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.