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ENAMINE-ZINC02654775

 MMsINC code: MMs01278023
Type: Neutral
Formula: C16H14F3N3O5
SMILES:   FC(F)(F)c1ccc(cc1)C(OCC(=O)C=1C(=O)N(C)C(=O)N(C)C=1N)=O
InChI:   InChI=1/C16H14F3N3O5/c1-21-12(20)11(13(24)22(2)15(21)26)10(23)7-27-14(25)8-3-5-9(6-4-8)16(17,18)19/h3-6H,7,20H2,1-2H3

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Potential Energy
Epot(MMFF94)=54.8068 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.298 g/mol  logS: -3.82075  SlogP: 1.4369  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00814409  Sterimol/B1: 2.53538  Sterimol/B2: 2.67271  Sterimol/B3: 2.68831
  Sterimol/B4: 6.92447  Sterimol/L: 18.1388 
 
 Surface and Volume Properties
  Accessible surface: 584.656  Positive charged surface: 334.019  Negative charged surface: 250.637  Volume: 306.5
  Hydrophobic surface: 306.9  Hydrophilic surface: 277.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.