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CHEMDIV-ZINC06893185

 MMsINC code: MMs01054795
Type: Neutral
Formula: C19H15FN2O3
SMILES:   Fc1ccc(N(C(=O)c2noc-3c2COc2c-3cc(cc2)C)C)cc1
InChI:   InChI=1/C19H15FN2O3/c1-11-3-8-16-14(9-11)18-15(10-24-16)17(21-25-18)19(23)22(2)13-6-4-12(20)5-7-13/h3-9H,10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.338 g/mol  logS: -5.38501  SlogP: 4.22452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00770992  Sterimol/B1: 2.37809  Sterimol/B2: 2.85626  Sterimol/B3: 3.03278
  Sterimol/B4: 5.70927  Sterimol/L: 18.4853 
 
 Surface and Volume Properties
  Accessible surface: 554.966  Positive charged surface: 326.526  Negative charged surface: 228.44  Volume: 303
  Hydrophobic surface: 495.619  Hydrophilic surface: 59.347
 
 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: no related molecules available.