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ASINEX-ZINC00351171

 MMsINC code: MMs00122687
Type: Neutral
Formula: C18H20F2N2
SMILES:   Fc1ccc(cc1)CN1CCN(CC1)Cc1ccc(F)cc1
InChI:   InChI=1/C18H20F2N2/c19-17-5-1-15(2-6-17)13-21-9-11-22(12-10-21)14-16-3-7-18(20)8-4-16/h1-8H,9-14H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.4282 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: 0.0878014  Sterimol/B1: 2.94518  Sterimol/B2: 4.03754  Sterimol/B3: 4.46975
  Sterimol/B4: 4.96655  Sterimol/L: 14.955 
 
 Surface and Volume Properties
  Accessible surface: 543.418  Positive charged surface: 347.634  Negative charged surface: 195.783  Volume: 294.5
  Hydrophobic surface: 529.097  Hydrophilic surface: 14.321
 
 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


MMs00122688
ASINEX-ZINC00351171