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ENAMINE-ZINC06540492

 MMsINC code: MMs01669040
Type: Neutral
Formula: C14H17F3N2O2
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NC(C(=O)NCCC)C
InChI:   InChI=1/C14H17F3N2O2/c1-3-8-18-12(20)9(2)19-13(21)10-4-6-11(7-5-10)14(15,16)17/h4-7,9H,3,8H2,1-2H3,(H,18,20)(H,19,21)/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.6741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.296 g/mol  logS: -3.61632  SlogP: 2.6614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303223  Sterimol/B1: 2.54148  Sterimol/B2: 2.5453  Sterimol/B3: 3.87606
  Sterimol/B4: 5.47729  Sterimol/L: 18.3835 
 
 Surface and Volume Properties
  Accessible surface: 544.939  Positive charged surface: 287.415  Negative charged surface: 257.524  Volume: 269.25
  Hydrophobic surface: 321.538  Hydrophilic surface: 223.401
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.