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NCID-ZINC04994338

 MMsINC code: MMs02425585
Type: Neutral
Formula: C10H16F3NO5S
SMILES:   S(CC)C1OC(C(O)CO)C(O)C1NC(=O)C(F)(F)F
InChI:   InChI=1/C10H16F3NO5S/c1-2-20-8-5(14-9(18)10(11,12)13)6(17)7(19-8)4(16)3-15/h4-8,15-17H,2-3H2,1H3,(H,14,18)/t4-,5+,6+,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=125.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.3 g/mol  logS: -1.72978  SlogP: -0.3545  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124932  Sterimol/B1: 2.50643  Sterimol/B2: 3.2634  Sterimol/B3: 3.30272
  Sterimol/B4: 8.6287  Sterimol/L: 13.3917 
 
 Surface and Volume Properties
  Accessible surface: 497.656  Positive charged surface: 287.661  Negative charged surface: 209.995  Volume: 248.625
  Hydrophobic surface: 193.962  Hydrophilic surface: 303.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.