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CHEMBRIDGE-ZINC01076322

 MMsINC code: MMs00659028
Type: Neutral
Formula: C14H15FN2OS
SMILES:   s1c(cnc1NC(=O)C(C)C)Cc1ccccc1F
InChI:   InChI=1/C14H15FN2OS/c1-9(2)13(18)17-14-16-8-11(19-14)7-10-5-3-4-6-12(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)

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Potential Energy
Epot(MMFF94)=37.3205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.351 g/mol  logS: -3.72007  SlogP: 3.46747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771306  Sterimol/B1: 2.69505  Sterimol/B2: 3.30452  Sterimol/B3: 4.42434
  Sterimol/B4: 5.14579  Sterimol/L: 15.4189 
 
 Surface and Volume Properties
  Accessible surface: 502.651  Positive charged surface: 305.852  Negative charged surface: 196.799  Volume: 259.5
  Hydrophobic surface: 407.982  Hydrophilic surface: 94.669
 
 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.