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NCID-ZINC01591867

 MMsINC code: MMs02246406
Type: Neutral
Formula: C6H8NO5PS
SMILES:   S(=O)(=O)(N)c1ccc(P(O)(O)=O)cc1
InChI:   InChI=1/C6H8NO5PS/c7-14(11,12)6-3-1-5(2-4-6)13(8,9)10/h1-4H,(H2,7,11,12)(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-44.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.172 g/mol  logS: -0.97149  SlogP: -1.9332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932842  Sterimol/B1: 2.44119  Sterimol/B2: 2.86978  Sterimol/B3: 3.59691
  Sterimol/B4: 4.89064  Sterimol/L: 12.0273 
 
 Surface and Volume Properties
  Accessible surface: 392.471  Positive charged surface: 178.09  Negative charged surface: 214.381  Volume: 172.625
  Hydrophobic surface: 122.676  Hydrophilic surface: 269.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  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


MMs02246407
NCID-ZINC01591867