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NCID-ZINC05430731

 MMsINC code: MMs02460809
Type: Neutral
Formula: C10H15N2O5PS
SMILES:   S(=O)(=O)(N\N=C(\P(OC)(O)=O)/C)c1ccc(cc1)C
InChI:   InChI=1/C10H15N2O5PS/c1-8-4-6-10(7-5-8)19(15,16)12-11-9(2)18(13,14)17-3/h4-7,12H,1-3H3,(H,13,14)/b11-9+

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Potential Energy
Epot(MMFF94)=62.2239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.279 g/mol  logS: -2.25644  SlogP: 0.36832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961749  Sterimol/B1: 2.4855  Sterimol/B2: 2.84921  Sterimol/B3: 5.25187
  Sterimol/B4: 7.1243  Sterimol/L: 15.3047 
 
 Surface and Volume Properties
  Accessible surface: 523.898  Positive charged surface: 294.976  Negative charged surface: 228.921  Volume: 253.875
  Hydrophobic surface: 360.772  Hydrophilic surface: 163.126
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.