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ASINEX-ZINC04568651

 MMsINC code: MMs00352764
Type: Neutral
Formula: C14H18F2N2O
SMILES:   Fc1c(F)c(ccc1C(=O)N1CCN(CC1)CC)C
InChI:   InChI=1/C14H18F2N2O/c1-3-17-6-8-18(9-7-17)14(19)11-5-4-10(2)12(15)13(11)16/h4-5H,3,6-9H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.2202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.307 g/mol  logS: -2.54939  SlogP: 2.05092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0908494  Sterimol/B1: 2.09796  Sterimol/B2: 3.48609  Sterimol/B3: 3.67498
  Sterimol/B4: 6.85241  Sterimol/L: 14.3796 
 
 Surface and Volume Properties
  Accessible surface: 483.274  Positive charged surface: 327.191  Negative charged surface: 156.083  Volume: 253.75
  Hydrophobic surface: 431.426  Hydrophilic surface: 51.848
 
 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


MMs00352765
ASINEX-ZINC04568651