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NCID-ZINC01594204

 MMsINC code: MMs02248590
Type: Neutral
Formula: C4H11NO3S
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)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=26.4638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.202 g/mol  logS: -0.22738  SlogP: -0.6066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137971  Sterimol/B1: 3.21807  Sterimol/B2: 3.2778  Sterimol/B3: 3.67958
  Sterimol/B4: 3.95498  Sterimol/L: 9.76606 
 
 Surface and Volume Properties
  Accessible surface: 314.879  Positive charged surface: 196.128  Negative charged surface: 118.751  Volume: 130.25
  Hydrophobic surface: 129.929  Hydrophilic surface: 184.95
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs02248591
NCID-ZINC01594204