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CHEMBRIDGE-ZINC04134069

 MMsINC code: MMs00762744
Type: Neutral
Formula: C19H27F3N2
SMILES:   FC(F)(F)c1ccccc1CN1CCN(CC1)C1CCCCCC1
InChI:   InChI=1/C19H27F3N2/c20-19(21,22)18-10-6-5-7-16(18)15-23-11-13-24(14-12-23)17-8-3-1-2-4-9-17/h5-7,10,17H,1-4,8-9,11-15H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.433 g/mol  logS: -4.34597  SlogP: 5.1237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121366  Sterimol/B1: 2.52384  Sterimol/B2: 3.23989  Sterimol/B3: 4.96185
  Sterimol/B4: 6.27412  Sterimol/L: 15.3959 
 
 Surface and Volume Properties
  Accessible surface: 556.467  Positive charged surface: 371.219  Negative charged surface: 185.248  Volume: 326.25
  Hydrophobic surface: 472.064  Hydrophilic surface: 84.403
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00762745
CHEMBRIDGE-ZINC04134069