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PUBCHEM-ZINC06753345

 MMsINC code: MMs03850393
Type: Neutral
Formula: C3H8NO5PS
SMILES:   S(P(O)(O)=O)CC(N)C(O)=O
InChI:   InChI=1/C3H8NO5PS/c4-2(3(5)6)1-11-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-42.6247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.139 g/mol  logS: 0.28798  SlogP: -1.846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17151  Sterimol/B1: 2.2001  Sterimol/B2: 3.48134  Sterimol/B3: 3.87005
  Sterimol/B4: 4.30668  Sterimol/L: 11.0382 
 
 Surface and Volume Properties
  Accessible surface: 347.983  Positive charged surface: 174.656  Negative charged surface: 173.328  Volume: 145.375
  Hydrophobic surface: 34.4489  Hydrophilic surface: 313.5341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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.