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NCID-ZINC01594204

 MMsINC code: MMs02248591
Type: Ionized
Formula: C4H10NO3S-
SMILES:   S(=O)(=O)([O-])C(N)CCC
InChI:   InChI=1/C4H11NO3S/c1-2-3-4(5)9(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)=37.5967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.194 g/mol  logS: -0.2989  SlogP: -0.3835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139971  Sterimol/B1: 3.01027  Sterimol/B2: 3.21157  Sterimol/B3: 3.3987
  Sterimol/B4: 4.07155  Sterimol/L: 10.0021 
 
 Surface and Volume Properties
  Accessible surface: 313.157  Positive charged surface: 174.185  Negative charged surface: 138.973  Volume: 127.625
  Hydrophobic surface: 131.787  Hydrophilic surface: 181.37
 
 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:


MMs02248590
NCID-ZINC01594204