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NCID-ZINC01643467

 MMsINC code: MMs02284928
Type: Neutral
Formula: C4H12NO5PS
SMILES:   S(=O)(=O)(CCC(P(O)(O)=O)N)C
InChI:   InChI=1/C4H12NO5PS/c1-12(9,10)3-2-4(5)11(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.70771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.182 g/mol  logS: 1.19395  SlogP: -2.1866  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121316  Sterimol/B1: 2.80127  Sterimol/B2: 3.71986  Sterimol/B3: 3.84642
  Sterimol/B4: 4.30577  Sterimol/L: 11.2858 
 
 Surface and Volume Properties
  Accessible surface: 376.895  Positive charged surface: 210.601  Negative charged surface: 166.294  Volume: 165.25
  Hydrophobic surface: 132.788  Hydrophilic surface: 244.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.