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NCID-ZINC05573763

 MMsINC code: MMs02476840
Type: Neutral
Formula: C7H10NO5PS
SMILES:   S(=O)(=O)(NP(OC)(O)=O)c1ccccc1
InChI:   InChI=1/C7H10NO5PS/c1-13-14(9,10)8-15(11,12)7-5-3-2-4-6-7/h2-6H,1H3,(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-68.9114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.199 g/mol  logS: -1.29308  SlogP: -0.3585  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131328  Sterimol/B1: 2.49003  Sterimol/B2: 3.56058  Sterimol/B3: 4.74397
  Sterimol/B4: 4.89201  Sterimol/L: 12.5208 
 
 Surface and Volume Properties
  Accessible surface: 399.786  Positive charged surface: 221.675  Negative charged surface: 178.111  Volume: 194.5
  Hydrophobic surface: 251.905  Hydrophilic surface: 147.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.