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PUBCHEM-ZINC03625961

 MMsINC code: MMs03025848
Type: Neutral
Formula: C10H16NO5PS2
SMILES:   S(=O)(=O)(N(C)C)c1cc(OP(=S)(OC)OC)ccc1
InChI:   InChI=1/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-6-9(8-10)16-17(18,14-3)15-4/h5-8H,1-4H3

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Potential Energy
Epot(MMFF94)=41.1829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.346 g/mol  logS: -2.73486  SlogP: 1.833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907697  Sterimol/B1: 2.32429  Sterimol/B2: 2.40479  Sterimol/B3: 5.1517
  Sterimol/B4: 7.08149  Sterimol/L: 15.0314 
 
 Surface and Volume Properties
  Accessible surface: 516.182  Positive charged surface: 353.622  Negative charged surface: 162.56  Volume: 269.5
  Hydrophobic surface: 390.139  Hydrophilic surface: 126.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.