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NCID-ZINC01606273

 MMsINC code: MMs02258276
Type: Neutral
Formula: C4H11NO4S
SMILES:   S(OCC(N)(C)C)(O)(=O)=O
InChI:   InChI=1/C4H11NO4S/c1-4(2,5)3-9-10(6,7)8/h3,5H2,1-2H3,(H,6,7,8)

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Potential Energy
Epot(MMFF94)=-6.14369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.201 g/mol  logS: -0.21143  SlogP: -1.0226  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229593  Sterimol/B1: 2.45713  Sterimol/B2: 2.52132  Sterimol/B3: 4.31924
  Sterimol/B4: 4.53195  Sterimol/L: 9.68155 
 
 Surface and Volume Properties
  Accessible surface: 333.367  Positive charged surface: 192.407  Negative charged surface: 140.96  Volume: 136.125
  Hydrophobic surface: 112.585  Hydrophilic surface: 220.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.