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NCID-ZINC05328681

 MMsINC code: MMs02451659
Type: Neutral
Formula: C4H10NO4PS
SMILES:   S(=O)=NP(OCC)(OCC)=O
InChI:   InChI=1/C4H10NO4PS/c1-3-8-10(6,5-11-7)9-4-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-24.3321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.167 g/mol  logS: -1.35482  SlogP: 0.8141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950098  Sterimol/B1: 2.66215  Sterimol/B2: 2.73276  Sterimol/B3: 4.33039
  Sterimol/B4: 6.51779  Sterimol/L: 12.2448 
 
 Surface and Volume Properties
  Accessible surface: 385.043  Positive charged surface: 241.022  Negative charged surface: 144.021  Volume: 159.5
  Hydrophobic surface: 199.113  Hydrophilic surface: 185.93
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 2
  Chiral centers: 0
 
 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.