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ENAMINE-ZINC01245795

 MMsINC code: MMs01239384
Type: Neutral
Formula: C23H23F3N2O
SMILES:   FC(F)(F)c1cc(N2CCN(CC2)CCOc2c3c(ccc2)cccc3)ccc1
InChI:   InChI=1/C23H23F3N2O/c24-23(25,26)19-7-4-8-20(17-19)28-13-11-27(12-14-28)15-16-29-22-10-3-6-18-5-1-2-9-21(18)22/h1-10,17H,11-16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=178.995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.444 g/mol  logS: -6.13817  SlogP: 5.3711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100413  Sterimol/B1: 2.46597  Sterimol/B2: 3.29227  Sterimol/B3: 5.38964
  Sterimol/B4: 8.31959  Sterimol/L: 18.0123 
 
 Surface and Volume Properties
  Accessible surface: 661.07  Positive charged surface: 373.47  Negative charged surface: 276.81  Volume: 373.5
  Hydrophobic surface: 546.533  Hydrophilic surface: 114.537
 
 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


MMs01239385
ENAMINE-ZINC01245795