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NCID-ZINC01603555

 MMsINC code: MMs02256210
Type: Ionized
Formula: C4H10NO3S2-
SMILES:   S(CCC(S(=O)(=O)[O-])N)C
InChI:   InChI=1/C4H11NO3S2/c1-9-3-2-4(5)10(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)/p-1/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=39.7553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.26 g/mol  logS: -0.44835  SlogP: -0.4305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895777  Sterimol/B1: 2.7443  Sterimol/B2: 3.39408  Sterimol/B3: 3.43209
  Sterimol/B4: 3.94102  Sterimol/L: 11.212 
 
 Surface and Volume Properties
  Accessible surface: 348.496  Positive charged surface: 167.786  Negative charged surface: 180.71  Volume: 147.5
  Hydrophobic surface: 146.944  Hydrophilic surface: 201.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs02256209
NCID-ZINC01603555