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CHEMBRIDGE-ZINC00455374

 MMsINC code: MMs00620542
Type: Neutral
Formula: C17H18F2N2O3
SMILES:   Fc1cc(F)ccc1NC(=O)NCCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H18F2N2O3/c1-23-15-6-3-11(9-16(15)24-2)7-8-20-17(22)21-14-5-4-12(18)10-13(14)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.3889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.338 g/mol  logS: -3.94828  SlogP: 3.34617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0666137  Sterimol/B1: 2.23576  Sterimol/B2: 2.99476  Sterimol/B3: 4.90872
  Sterimol/B4: 7.3049  Sterimol/L: 18.8486 
 
 Surface and Volume Properties
  Accessible surface: 601.564  Positive charged surface: 404.062  Negative charged surface: 197.503  Volume: 304
  Hydrophobic surface: 519.902  Hydrophilic surface: 81.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.