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NCID-ZINC01568176

 MMsINC code: MMs02229124
Type: Neutral
Formula: C7H10F3NO3
SMILES:   FC(F)(F)C(=O)NC(CCC)C(O)=O
InChI:   InChI=1/C7H10F3NO3/c1-2-3-4(5(12)13)11-6(14)7(8,9)10/h4H,2-3H2,1H3,(H,11,14)(H,12,13)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=53.2806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.155 g/mol  logS: -1.88614  SlogP: 1.3381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11603  Sterimol/B1: 2.78198  Sterimol/B2: 2.88803  Sterimol/B3: 3.31786
  Sterimol/B4: 6.66854  Sterimol/L: 11.1399 
 
 Surface and Volume Properties
  Accessible surface: 380.514  Positive charged surface: 180.053  Negative charged surface: 200.461  Volume: 166.125
  Hydrophobic surface: 124.131  Hydrophilic surface: 256.383
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02229125
NCID-ZINC01568176