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APOLLO-ZINC03306788

 MMsINC code: MMs00056058
Type: Neutral
Formula: C8H6F3NOS
SMILES:   S(C(F)(F)F)c1ccc(cc1)C(=O)N
InChI:   InChI=1/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

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Potential Energy
Epot(MMFF94)=34.5523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.202 g/mol  logS: -3.79735  SlogP: 2.8173  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0183243  Sterimol/B1: 2.63621  Sterimol/B2: 2.63991  Sterimol/B3: 2.74495
  Sterimol/B4: 4.89615  Sterimol/L: 12.231 
 
 Surface and Volume Properties
  Accessible surface: 360.947  Positive charged surface: 128.319  Negative charged surface: 232.629  Volume: 164.5
  Hydrophobic surface: 120.423  Hydrophilic surface: 240.524
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.