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CHEMDIV-ZINC03008263

 MMsINC code: MMs00901425
Type: Neutral
Formula: C15H19FN2O3
SMILES:   Fc1ccc(cc1)CN1C(CCC1=O)C(=O)NCCOC
InChI:   InChI=1/C15H19FN2O3/c1-21-9-8-17-15(20)13-6-7-14(19)18(13)10-11-2-4-12(16)5-3-11/h2-5,13H,6-10H2,1H3,(H,17,20)/t13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.326 g/mol  logS: -2.26774  SlogP: 1.3457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995109  Sterimol/B1: 2.43032  Sterimol/B2: 4.24375  Sterimol/B3: 4.67966
  Sterimol/B4: 6.43915  Sterimol/L: 15.7976 
 
 Surface and Volume Properties
  Accessible surface: 542.896  Positive charged surface: 376.515  Negative charged surface: 166.381  Volume: 278.375
  Hydrophobic surface: 467.043  Hydrophilic surface: 75.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.