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NCID-ZINC01583327

 MMsINC code: MMs02240193
Type: Neutral
Formula: C8H10F3NO5
SMILES:   FC(F)(F)C(=O)NC(CCC(O)=O)C(OC)=O
InChI:   InChI=1/C8H10F3NO5/c1-17-6(15)4(2-3-5(13)14)12-7(16)8(9,10)11/h4H,2-3H2,1H3,(H,12,16)(H,13,14)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=59.1532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.164 g/mol  logS: -1.3338  SlogP: 0.4912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995791  Sterimol/B1: 2.48788  Sterimol/B2: 2.9402  Sterimol/B3: 3.22402
  Sterimol/B4: 8.6418  Sterimol/L: 12.0618 
 
 Surface and Volume Properties
  Accessible surface: 435.913  Positive charged surface: 227.785  Negative charged surface: 208.128  Volume: 192.625
  Hydrophobic surface: 159.036  Hydrophilic surface: 276.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02240194
NCID-ZINC01583327