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CHEMSTAR-ZINC00053071

 MMsINC code: MMs01072529
Type: Neutral
Formula: C10H6F2N2OS
SMILES:   s1ccnc1NC(=O)c1c(F)cccc1F
InChI:   InChI=1/C10H6F2N2OS/c11-6-2-1-3-7(12)8(6)9(15)14-10-13-4-5-16-10/h1-5H,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=35.7551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.233 g/mol  logS: -3.4162  SlogP: 2.6736  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548607  Sterimol/B1: 2.76836  Sterimol/B2: 3.6947  Sterimol/B3: 3.87811
  Sterimol/B4: 3.87931  Sterimol/L: 13.7132 
 
 Surface and Volume Properties
  Accessible surface: 408.494  Positive charged surface: 191.761  Negative charged surface: 216.733  Volume: 191.75
  Hydrophobic surface: 339.579  Hydrophilic surface: 68.915
 
 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.