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ENAMINE-ZINC05523774

 MMsINC code: MMs01619893
Type: Neutral
Formula: C17H13F4N3O3
SMILES:   Fc1ccc(cc1)C1NC(=O)NC(O)(C(F)(F)F)C1C(=O)c1cccnc1
InChI:   InChI=1/C17H13F4N3O3/c18-11-5-3-9(4-6-11)13-12(14(25)10-2-1-7-22-8-10)16(27,17(19,20)21)24-15(26)23-13/h1-8,12-13,27H,(H2,23,24,26)/t12-,13-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.6219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.301 g/mol  logS: -3.35005  SlogP: 2.84  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.295706  Sterimol/B1: 2.29791  Sterimol/B2: 3.3897  Sterimol/B3: 4.60096
  Sterimol/B4: 7.72897  Sterimol/L: 11.9794 
 
 Surface and Volume Properties
  Accessible surface: 512.881  Positive charged surface: 260.901  Negative charged surface: 251.981  Volume: 299.25
  Hydrophobic surface: 296.797  Hydrophilic surface: 216.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.