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PUBCHEM-ZINC03640236

 MMsINC code: MMs03030944
Type: Neutral
Formula: C19H22F3NO
SMILES:   FC(F)(F)c1ccc(cc1)C(OC(CN(C)C)C)c1ccccc1
InChI:   InChI=1/C19H22F3NO/c1-14(13-23(2)3)24-18(15-7-5-4-6-8-15)16-9-11-17(12-10-16)19(20,21)22/h4-12,14,18H,13H2,1-3H3/t14-,18+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.7417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.385 g/mol  logS: -4.55063  SlogP: 5.1685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208173  Sterimol/B1: 3.5467  Sterimol/B2: 4.11557  Sterimol/B3: 4.95207
  Sterimol/B4: 7.59968  Sterimol/L: 13.4419 
 
 Surface and Volume Properties
  Accessible surface: 583.916  Positive charged surface: 352.867  Negative charged surface: 231.049  Volume: 323
  Hydrophobic surface: 463.965  Hydrophilic surface: 119.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03030945
PUBCHEM-ZINC03640236