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ASINEX-ZINC00139363

 MMsINC code: MMs00081462
Type: Neutral
Formula: C17H13FN2O2
SMILES:   Fc1ccccc1C(=O)c1c(nn(c1O)-c1ccccc1)C
InChI:   InChI=1/C17H13FN2O2/c1-11-15(16(21)13-9-5-6-10-14(13)18)17(22)20(19-11)12-7-3-2-4-8-12/h2-10,22H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.301 g/mol  logS: -4.16928  SlogP: 3.25642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0901851  Sterimol/B1: 2.34613  Sterimol/B2: 3.18023  Sterimol/B3: 4.64944
  Sterimol/B4: 7.6515  Sterimol/L: 15.3813 
 
 Surface and Volume Properties
  Accessible surface: 518.851  Positive charged surface: 264.697  Negative charged surface: 254.154  Volume: 272.75
  Hydrophobic surface: 444.427  Hydrophilic surface: 74.424
 
 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: no related molecules available.