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CHEMBRIDGE-ZINC00358906

 MMsINC code: MMs00609539
Type: Neutral
Formula: C11H11FN2OS
SMILES:   S=C(Nc1ccc(F)cc1)NC(=O)C1CC1
InChI:   InChI=1/C11H11FN2OS/c12-8-3-5-9(6-4-8)13-11(16)14-10(15)7-1-2-7/h3-7H,1-2H2,(H2,13,14,15,16)

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Potential Energy
Epot(MMFF94)=92.9455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.286 g/mol  logS: -3.6543  SlogP: 2.0487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335465  Sterimol/B1: 2.52186  Sterimol/B2: 3.03788  Sterimol/B3: 3.78526
  Sterimol/B4: 4.7237  Sterimol/L: 14.8871 
 
 Surface and Volume Properties
  Accessible surface: 446.045  Positive charged surface: 240.868  Negative charged surface: 205.177  Volume: 212.25
  Hydrophobic surface: 291.697  Hydrophilic surface: 154.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.