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CHEMBRIDGE-ZINC02499363

 MMsINC code: MMs00711871
Type: Neutral
Formula: C15H24F2N2
SMILES:   Fc1cc(F)ccc1CN(CCN(CC)CC)CC
InChI:   InChI=1/C15H24F2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)11-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.2297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.367 g/mol  logS: -2.72581  SlogP: 3.3949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227684  Sterimol/B1: 2.28238  Sterimol/B2: 3.95242  Sterimol/B3: 6.18751
  Sterimol/B4: 7.46077  Sterimol/L: 12.5733 
 
 Surface and Volume Properties
  Accessible surface: 534.642  Positive charged surface: 363.371  Negative charged surface: 171.271  Volume: 280.875
  Hydrophobic surface: 462.826  Hydrophilic surface: 71.816
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00711872
CHEMBRIDGE-ZINC02499363