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CHEMDIV-ZINC00111034

 MMsINC code: MMs00833392
Type: Neutral
Formula: C11H10FNO2S
SMILES:   s1c2c(c(N)c1C(OCC)=O)c(F)ccc2
InChI:   InChI=1/C11H10FNO2S/c1-2-15-11(14)10-9(13)8-6(12)4-3-5-7(8)16-10/h3-5H,2,13H2,1H3

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Potential Energy
Epot(MMFF94)=35.2512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.27 g/mol  logS: -3.76303  SlogP: 2.7993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00995898  Sterimol/B1: 2.37458  Sterimol/B2: 2.37591  Sterimol/B3: 3.47204
  Sterimol/B4: 5.30327  Sterimol/L: 14.4082 
 
 Surface and Volume Properties
  Accessible surface: 430.252  Positive charged surface: 243.458  Negative charged surface: 180.844  Volume: 206.375
  Hydrophobic surface: 332.475  Hydrophilic surface: 97.777
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.