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ASINEX-ZINC04861060

 MMsINC code: MMs00387762
Type: Neutral
Formula: C14H18F2N2O
SMILES:   Fc1cc(C(=O)N2CCN(CC2)CC)c(cc1F)C
InChI:   InChI=1/C14H18F2N2O/c1-3-17-4-6-18(7-5-17)14(19)11-9-13(16)12(15)8-10(11)2/h8-9H,3-7H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.3935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.307 g/mol  logS: -2.86284  SlogP: 2.05092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140728  Sterimol/B1: 3.01993  Sterimol/B2: 3.10213  Sterimol/B3: 4.70327
  Sterimol/B4: 5.54992  Sterimol/L: 13.6315 
 
 Surface and Volume Properties
  Accessible surface: 477.096  Positive charged surface: 315.623  Negative charged surface: 161.472  Volume: 250.75
  Hydrophobic surface: 428.796  Hydrophilic surface: 48.3
 
 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


MMs00387763
ASINEX-ZINC04861060