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ASINEX-ZINC00237306

 MMsINC code: MMs00096123
Type: Neutral
Formula: C18H20F2N2
SMILES:   Fc1cc(F)ccc1CN1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C18H20F2N2/c19-17-7-6-16(18(20)12-17)14-22-10-8-21(9-11-22)13-15-4-2-1-3-5-15/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)=76.774 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: 0.0993244  Sterimol/B1: 2.66817  Sterimol/B2: 3.22041  Sterimol/B3: 4.03478
  Sterimol/B4: 6.81429  Sterimol/L: 14.9577 
 
 Surface and Volume Properties
  Accessible surface: 545.685  Positive charged surface: 350.044  Negative charged surface: 195.641  Volume: 295.625
  Hydrophobic surface: 533.051  Hydrophilic surface: 12.634
 
 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


MMs00096124
ASINEX-ZINC00237306