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ASINEX-ZINC04218125

 MMsINC code: MMs00319065
Type: Neutral
Formula: C14H15FN2OS
SMILES:   S(Cc1ccccc1F)C=1NC(=O)C(CC)=C(N=1)C
InChI:   InChI=1/C14H15FN2OS/c1-3-11-9(2)16-14(17-13(11)18)19-8-10-6-4-5-7-12(10)15/h4-7H,3,8H2,1-2H3,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=7.46148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.351 g/mol  logS: -4.61565  SlogP: 3.4951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681657  Sterimol/B1: 2.83234  Sterimol/B2: 4.11867  Sterimol/B3: 4.34852
  Sterimol/B4: 4.79284  Sterimol/L: 16.4629 
 
 Surface and Volume Properties
  Accessible surface: 505.242  Positive charged surface: 288.948  Negative charged surface: 216.294  Volume: 257.125
  Hydrophobic surface: 369.157  Hydrophilic surface: 136.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.