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NCID-ZINC01752786

 MMsINC code: MMs02362898
Type: Neutral
Formula: C15H21FN2O2
SMILES:   Fc1ccccc1NC(=O)N(CCO)C1CCCCC1
InChI:   InChI=1/C15H21FN2O2/c16-13-8-4-5-9-14(13)17-15(20)18(10-11-19)12-6-2-1-3-7-12/h4-5,8-9,12,19H,1-3,6-7,10-11H2,(H,17,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.4156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.343 g/mol  logS: -2.88578  SlogP: 2.9846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116676  Sterimol/B1: 2.5615  Sterimol/B2: 3.69853  Sterimol/B3: 3.97993
  Sterimol/B4: 7.86084  Sterimol/L: 13.6113 
 
 Surface and Volume Properties
  Accessible surface: 502.204  Positive charged surface: 357.116  Negative charged surface: 145.088  Volume: 272.125
  Hydrophobic surface: 449.646  Hydrophilic surface: 52.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.