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CHEMDIV-ZINC06839461

 MMsINC code: MMs01045353
Type: Neutral
Formula: C17H15FN2O2
SMILES:   Fc1ccc(N(C(=O)Cc2noc3c2cc(cc3)C)C)cc1
InChI:   InChI=1/C17H15FN2O2/c1-11-3-8-16-14(9-11)15(19-22-16)10-17(21)20(2)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.317 g/mol  logS: -4.7252  SlogP: 3.48079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142486  Sterimol/B1: 2.26343  Sterimol/B2: 3.62064  Sterimol/B3: 4.77272
  Sterimol/B4: 7.18956  Sterimol/L: 14.6466 
 
 Surface and Volume Properties
  Accessible surface: 533.333  Positive charged surface: 296.273  Negative charged surface: 233.391  Volume: 278.5
  Hydrophobic surface: 488.12  Hydrophilic surface: 45.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.