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IBS-ZINC04837515

 MMsINC code: MMs01900530
Type: Neutral
Formula: C19H20F2N2O2
SMILES:   Fc1ccc(cc1)/C(=N/O)/CCCCC\C(=N\O)\c1ccc(F)cc1
InChI:   InChI=1/C19H20F2N2O2/c20-16-10-6-14(7-11-16)18(22-24)4-2-1-3-5-19(23-25)15-8-12-17(21)13-9-15/h6-13,24-25H,1-5H2/b22-18-,23-19+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.2774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.377 g/mol  logS: -4.69204  SlogP: 4.9721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0678312  Sterimol/B1: 4.43127  Sterimol/B2: 4.48664  Sterimol/B3: 5.04509
  Sterimol/B4: 5.38624  Sterimol/L: 19.4646 
 
 Surface and Volume Properties
  Accessible surface: 624.616  Positive charged surface: 363.624  Negative charged surface: 260.993  Volume: 326.25
  Hydrophobic surface: 492.896  Hydrophilic surface: 131.72
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.