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PUBCHEM-ZINC06753379

 MMsINC code: MMs03850442
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-/m1/s1

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Potential Energy
Epot(MMFF94)=-42.9598 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: 0.153283  Sterimol/B1: 2.35242  Sterimol/B2: 3.709  Sterimol/B3: 3.73319
  Sterimol/B4: 4.49104  Sterimol/L: 10.9194 
 
 Surface and Volume Properties
  Accessible surface: 353.146  Positive charged surface: 185.804  Negative charged surface: 167.342  Volume: 145.625
  Hydrophobic surface: 35.6363  Hydrophilic surface: 317.5097
 
 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.