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CHEMBLOCK-ZINC03622589

 MMsINC code: MMs00538283
Type: Neutral
Formula: C12H12F3NO5
SMILES:   FC(F)(F)C(O)(NC(OCc1ccccc1)=O)C(OC)=O
InChI:   InChI=1/C12H12F3NO5/c1-20-9(17)11(19,12(13,14)15)16-10(18)21-7-8-5-3-2-4-6-8/h2-6,19H,7H2,1H3,(H,16,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=55.1802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.224 g/mol  logS: -2.95241  SlogP: 2.023  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0827149  Sterimol/B1: 2.244  Sterimol/B2: 3.30662  Sterimol/B3: 3.85673
  Sterimol/B4: 6.84563  Sterimol/L: 14.614 
 
 Surface and Volume Properties
  Accessible surface: 508.949  Positive charged surface: 267.717  Negative charged surface: 241.232  Volume: 244.625
  Hydrophobic surface: 307.487  Hydrophilic surface: 201.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.