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PUBCHEM-ZINC03634871

 MMsINC code: MMs03029146
Type: Neutral
Formula: C11H14F3NO
SMILES:   FC(F)(F)c1ccc(cc1)C(O)C(N)(C)C
InChI:   InChI=1/C11H14F3NO/c1-10(2,15)9(16)7-3-5-8(6-4-7)11(12,13)14/h3-6,9,16H,15H2,1-2H3/t9-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.4087 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.233 g/mol  logS: -2.55823  SlogP: 2.8831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11853  Sterimol/B1: 3.48512  Sterimol/B2: 3.48647  Sterimol/B3: 3.56036
  Sterimol/B4: 3.87169  Sterimol/L: 12.1702 
 
 Surface and Volume Properties
  Accessible surface: 406.048  Positive charged surface: 192.198  Negative charged surface: 213.85  Volume: 204.875
  Hydrophobic surface: 195.719  Hydrophilic surface: 210.329
 
 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


MMs03029147
PUBCHEM-ZINC03634871