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ENAMINE-ZINC06509847

 MMsINC code: MMs01666270
Type: Neutral
Formula: C14H16F6N2O
SMILES:   FC(F)(F)c1cc(cc(NC(=O)CNCC(C)C)c1)C(F)(F)F
InChI:   InChI=1/C14H16F6N2O/c1-8(2)6-21-7-12(23)22-11-4-9(13(15,16)17)3-10(5-11)14(18,19)20/h3-5,8,21H,6-7H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.2106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.283 g/mol  logS: -4.19776  SlogP: 4.5313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461476  Sterimol/B1: 2.01482  Sterimol/B2: 4.26918  Sterimol/B3: 4.67723
  Sterimol/B4: 5.07367  Sterimol/L: 16.546 
 
 Surface and Volume Properties
  Accessible surface: 556.508  Positive charged surface: 256.475  Negative charged surface: 300.033  Volume: 274.375
  Hydrophobic surface: 254.891  Hydrophilic surface: 301.617
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01666271
ENAMINE-ZINC06509847