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NCID-ZINC05567245

 MMsINC code: MMs02475965
Type: Neutral
Formula: C10H14N2O6S
SMILES:   s1cc(nc1NC1OC(CO)C(O)C1O)C(OC)=O
InChI:   InChI=1/C10H14N2O6S/c1-17-9(16)4-3-19-10(11-4)12-8-7(15)6(14)5(2-13)18-8/h3,5-8,13-15H,2H2,1H3,(H,11,12)/t5-,6+,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=68.5143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.296 g/mol  logS: -0.75195  SlogP: -1.2194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874248  Sterimol/B1: 2.46699  Sterimol/B2: 4.0253  Sterimol/B3: 4.7778
  Sterimol/B4: 5.52294  Sterimol/L: 15.3766 
 
 Surface and Volume Properties
  Accessible surface: 511.208  Positive charged surface: 347.736  Negative charged surface: 163.472  Volume: 240.75
  Hydrophobic surface: 271.751  Hydrophilic surface: 239.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02475966
NCID-ZINC05567245