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CHEMBRIDGE-ZINC02811179

 MMsINC code: MMs00717126
Type: Neutral
Formula: C15H23F3N2+2
SMILES:   FC(F)(F)c1ccc(cc1)C[NH+](C)C1CC[NH+](CC1)C
InChI:   InChI=1/C15H21F3N2/c1-19-9-7-14(8-10-19)20(2)11-12-3-5-13(6-4-12)15(16,17)18/h3-6,14H,7-11H2,1-2H3/p+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.357 g/mol  logS: -2.71437  SlogP: 0.9751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0606626  Sterimol/B1: 2.89881  Sterimol/B2: 3.05884  Sterimol/B3: 3.42132
  Sterimol/B4: 5.36146  Sterimol/L: 16.1722 
 
 Surface and Volume Properties
  Accessible surface: 518.768  Positive charged surface: 356.674  Negative charged surface: 162.093  Volume: 280.875
  Hydrophobic surface: 346.675  Hydrophilic surface: 172.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 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


MMs00717127
CHEMBRIDGE-ZINC02811179