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CHEMSTAR-ZINC00207599

 MMsINC code: MMs01073733
Type: Neutral
Formula: C16H21FN2O2
SMILES:   Fc1ccc(cc1)C(=O)N1CCC(N2CCOCC2)CC1
InChI:   InChI=1/C16H21FN2O2/c17-14-3-1-13(2-4-14)16(20)19-7-5-15(6-8-19)18-9-11-21-12-10-18/h1-4,15H,5-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.5172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.354 g/mol  logS: -2.46175  SlogP: 1.7625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082023  Sterimol/B1: 2.45034  Sterimol/B2: 4.0757  Sterimol/B3: 4.63747
  Sterimol/B4: 4.97408  Sterimol/L: 15.4489 
 
 Surface and Volume Properties
  Accessible surface: 513.596  Positive charged surface: 367.874  Negative charged surface: 145.722  Volume: 279.75
  Hydrophobic surface: 464.854  Hydrophilic surface: 48.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01073734
CHEMSTAR-ZINC00207599