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CHEMDIV-ZINC06738628

 MMsINC code: MMs01006927
Type: Neutral
Formula: C19H16FN3O2
SMILES:   Fc1ccc(N(C(=O)Cn2ncc3c2-c2c(OC3)cccc2)C)cc1
InChI:   InChI=1/C19H16FN3O2/c1-22(15-8-6-14(20)7-9-15)18(24)11-23-19-13(10-21-23)12-25-17-5-3-2-4-16(17)19/h2-10H,11-12H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.354 g/mol  logS: -4.46831  SlogP: 3.7774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158693  Sterimol/B1: 1.969  Sterimol/B2: 4.79826  Sterimol/B3: 6.37911
  Sterimol/B4: 6.40937  Sterimol/L: 14.3579 
 
 Surface and Volume Properties
  Accessible surface: 557.646  Positive charged surface: 349.174  Negative charged surface: 208.472  Volume: 312
  Hydrophobic surface: 491.672  Hydrophilic surface: 65.974
 
 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.