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ENAMINE-ZINC03289283

 MMsINC code: MMs01352292
Type: Neutral
Formula: C10H9F2NO4
SMILES:   FC(F)Oc1cc(ccc1)C(=O)NCC(O)=O
InChI:   InChI=1/C10H9F2NO4/c11-10(12)17-7-3-1-2-6(4-7)9(16)13-5-8(14)15/h1-4,10H,5H2,(H,13,16)(H,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.6829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.181 g/mol  logS: -1.6611  SlogP: 1.5223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126762  Sterimol/B1: 2.56073  Sterimol/B2: 2.6377  Sterimol/B3: 2.63843
  Sterimol/B4: 5.5706  Sterimol/L: 15.1522 
 
 Surface and Volume Properties
  Accessible surface: 422.883  Positive charged surface: 217.8  Negative charged surface: 205.084  Volume: 195.875
  Hydrophobic surface: 187.478  Hydrophilic surface: 235.405
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01352293
ENAMINE-ZINC03289283