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CHEMBRIDGE-ZINC02489887

 MMsINC code: MMs00710732
Type: Neutral
Formula: C18H30F3N3
SMILES:   FC(F)(F)c1cc(ccc1)CN(CCCN(C)C)CCCN(C)C
InChI:   InChI=1/C18H30F3N3/c1-22(2)10-6-12-24(13-7-11-23(3)4)15-16-8-5-9-17(14-16)18(19,20)21/h5,8-9,14H,6-7,10-13,15H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0023 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.453 g/mol  logS: -2.5122  SlogP: 3.9887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829522  Sterimol/B1: 2.75585  Sterimol/B2: 3.4332  Sterimol/B3: 4.4944
  Sterimol/B4: 9.62785  Sterimol/L: 16.373 
 
 Surface and Volume Properties
  Accessible surface: 630.453  Positive charged surface: 462.625  Negative charged surface: 167.829  Volume: 346.875
  Hydrophobic surface: 518.631  Hydrophilic surface: 111.822
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00710733
CHEMBRIDGE-ZINC02489887