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CHEMSTAR-ZINC00029671

 MMsINC code: MMs01072128
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(OC)=O)c1ccc(F)cc1
InChI:   InChI=1/C14H12FNO4S/c1-20-14(17)10-2-6-12(7-3-10)16-21(18,19)13-8-4-11(15)5-9-13/h2-9,16H,1H3

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Potential Energy
Epot(MMFF94)=48.988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.72343  SlogP: 2.4131  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134831  Sterimol/B1: 3.76487  Sterimol/B2: 4.16199  Sterimol/B3: 4.35592
  Sterimol/B4: 5.51348  Sterimol/L: 14.134 
 
 Surface and Volume Properties
  Accessible surface: 505.207  Positive charged surface: 277.991  Negative charged surface: 227.216  Volume: 260.125
  Hydrophobic surface: 383.405  Hydrophilic surface: 121.802
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.