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CHEMBRIDGE-ZINC02995951

 MMsINC code: MMs00748363
Type: Neutral
Formula: C14H19FN2O2
SMILES:   Fc1cc(ccc1)C(=O)NCCCN1CCOCC1
InChI:   InChI=1/C14H19FN2O2/c15-13-4-1-3-12(11-13)14(18)16-5-2-6-17-7-9-19-10-8-17/h1,3-4,11H,2,5-10H2,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.316 g/mol  logS: -2.21713  SlogP: 1.2778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0273831  Sterimol/B1: 3.14273  Sterimol/B2: 3.23169  Sterimol/B3: 3.75025
  Sterimol/B4: 4.82116  Sterimol/L: 16.9825 
 
 Surface and Volume Properties
  Accessible surface: 517.534  Positive charged surface: 366.272  Negative charged surface: 151.263  Volume: 257
  Hydrophobic surface: 460.572  Hydrophilic surface: 56.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00748364
CHEMBRIDGE-ZINC02995951