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MAYBRIDGE-ZINC00171836

 MMsINC code: MMs02146484
Type: Neutral
Formula: C14H18F2N2O2
SMILES:   Fc1cc(F)ccc1C(=O)NC(=O)N(C(C)C)C(C)C
InChI:   InChI=1/C14H18F2N2O2/c1-8(2)18(9(3)4)14(20)17-13(19)11-6-5-10(15)7-12(11)16/h5-9H,1-4H3,(H,17,19,20)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.306 g/mol  logS: -3.55235  SlogP: 2.9334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893976  Sterimol/B1: 2.36162  Sterimol/B2: 2.55272  Sterimol/B3: 4.92284
  Sterimol/B4: 5.95471  Sterimol/L: 14.6442 
 
 Surface and Volume Properties
  Accessible surface: 485.547  Positive charged surface: 263.198  Negative charged surface: 222.349  Volume: 263.75
  Hydrophobic surface: 359.71  Hydrophilic surface: 125.837
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.