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IBS-ZINC01732853

 MMsINC code: MMs01771897
Type: Neutral
Formula: C8H12F3NO3
SMILES:   FC(F)(F)C(=O)NCCCCCC(O)=O
InChI:   InChI=1/C8H12F3NO3/c9-8(10,11)7(15)12-5-3-1-2-4-6(13)14/h1-5H2,(H,12,15)(H,13,14)

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Potential Energy
Epot(MMFF94)=35.1957 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.182 g/mol  logS: -1.32917  SlogP: 1.7298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0300274  Sterimol/B1: 2.63748  Sterimol/B2: 2.63866  Sterimol/B3: 2.79701
  Sterimol/B4: 3.90957  Sterimol/L: 15.7835 
 
 Surface and Volume Properties
  Accessible surface: 427.205  Positive charged surface: 227.406  Negative charged surface: 199.799  Volume: 185.25
  Hydrophobic surface: 164.238  Hydrophilic surface: 262.967
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01771898
IBS-ZINC01732853