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ENAMINE-ZINC06887119

 MMsINC code: MMs01711568
Type: Neutral
Formula: C11H11FN2OS
SMILES:   S1CCN=C1NC(=O)Cc1ccccc1F
InChI:   InChI=1/C11H11FN2OS/c12-9-4-2-1-3-8(9)7-10(15)14-11-13-5-6-16-11/h1-4H,5-7H2,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=35.9958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.286 g/mol  logS: -3.56622  SlogP: 1.58717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881321  Sterimol/B1: 2.4443  Sterimol/B2: 3.18365  Sterimol/B3: 4.08743
  Sterimol/B4: 5.14944  Sterimol/L: 13.8065 
 
 Surface and Volume Properties
  Accessible surface: 445.128  Positive charged surface: 277.584  Negative charged surface: 167.544  Volume: 211.125
  Hydrophobic surface: 338.051  Hydrophilic surface: 107.077
 
 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.