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PUBCHEM-ZINC02018873

 MMsINC code: MMs02854500
Type: Neutral
Formula: C11H14F3NO
SMILES:   FC(F)(F)c1cc(ccc1)C(OC)CNC
InChI:   InChI=1/C11H14F3NO/c1-15-7-10(16-2)8-4-3-5-9(6-8)11(12,13)14/h3-6,10,15H,7H2,1-2H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.233 g/mol  logS: -2.32457  SlogP: 3.0193  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18468  Sterimol/B1: 2.45369  Sterimol/B2: 3.97288  Sterimol/B3: 3.99535
  Sterimol/B4: 6.7993  Sterimol/L: 12.9954 
 
 Surface and Volume Properties
  Accessible surface: 443.983  Positive charged surface: 281.85  Negative charged surface: 162.133  Volume: 210.125
  Hydrophobic surface: 316.839  Hydrophilic surface: 127.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02854501
PUBCHEM-ZINC02018873