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ASINEX-ZINC00099126

 MMsINC code: MMs00074585
Type: Neutral
Formula: C14H10FNO3S
SMILES:   s1cccc1C(=O)CC1(O)c2cc(F)ccc2NC1=O
InChI:   InChI=1/C14H10FNO3S/c15-8-3-4-10-9(6-8)14(19,13(18)16-10)7-11(17)12-2-1-5-20-12/h1-6,19H,7H2,(H,16,18)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=58.0019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.302 g/mol  logS: -3.58965  SlogP: 2.6114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0754974  Sterimol/B1: 2.71496  Sterimol/B2: 4.03261  Sterimol/B3: 4.12312
  Sterimol/B4: 4.8533  Sterimol/L: 14.7803 
 
 Surface and Volume Properties
  Accessible surface: 471.942  Positive charged surface: 216.451  Negative charged surface: 255.491  Volume: 243
  Hydrophobic surface: 356.945  Hydrophilic surface: 114.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.