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ASINEX-ZINC00285264

 MMsINC code: MMs00108650
Type: Neutral
Formula: C18H20F2N2
SMILES:   Fc1cc(ccc1)CN1CCN(CC1)Cc1ccc(F)cc1
InChI:   InChI=1/C18H20F2N2/c19-17-6-4-15(5-7-17)13-21-8-10-22(11-9-21)14-16-2-1-3-18(20)12-16/h1-7,12H,8-11,13-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.9226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.368 g/mol  logS: -3.66092  SlogP: 3.8154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0887656  Sterimol/B1: 2.46547  Sterimol/B2: 2.88651  Sterimol/B3: 4.10536
  Sterimol/B4: 7.0011  Sterimol/L: 15.1508 
 
 Surface and Volume Properties
  Accessible surface: 545.742  Positive charged surface: 346.356  Negative charged surface: 199.386  Volume: 294.25
  Hydrophobic surface: 531.422  Hydrophilic surface: 14.32
 
 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


MMs00108651
ASINEX-ZINC00285264