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PUBCHEM-ZINC03640233

 MMsINC code: MMs03030941
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-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.0763 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: 0.150593  Sterimol/B1: 2.16619  Sterimol/B2: 3.29045  Sterimol/B3: 4.59245
  Sterimol/B4: 9.33233  Sterimol/L: 15.6735 
 
 Surface and Volume Properties
  Accessible surface: 584.255  Positive charged surface: 346.187  Negative charged surface: 238.068  Volume: 323.625
  Hydrophobic surface: 459.405  Hydrophilic surface: 124.85
 
 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


MMs03030942
PUBCHEM-ZINC03640233