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NANOSIN-ZINC03204827

 MMsINC code: MMs02202965
Type: Neutral
Formula: C7H9F6NO
SMILES:   FC(F)(F)C(CC)(C(=O)NC)C(F)(F)F
InChI:   InChI=1/C7H9F6NO/c1-3-5(4(15)14-2,6(8,9)10)7(11,12)13/h3H2,1-2H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=-10.0936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.143 g/mol  logS: -2.40256  SlogP: 3.0932  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.284498  Sterimol/B1: 2.07514  Sterimol/B2: 3.49635  Sterimol/B3: 3.66843
  Sterimol/B4: 5.68763  Sterimol/L: 9.64926 
 
 Surface and Volume Properties
  Accessible surface: 352.597  Positive charged surface: 166.529  Negative charged surface: 186.069  Volume: 164.5
  Hydrophobic surface: 157.357  Hydrophilic surface: 195.24
 
 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.