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PUBCHEM-ZINC00267539

 MMsINC code: MMs02648233
Type: Neutral
Formula: C18H13FN2O2
SMILES:   Fc1ccccc1C(=O)N\N=C\c1ccc2c(cccc2)c1O
InChI:   InChI=1/C18H13FN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-11-13-10-9-12-5-1-2-6-14(12)17(13)22/h1-11,22H,(H,21,23)/b20-11+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.312 g/mol  logS: -5.34906  SlogP: 3.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000948152  Sterimol/B1: 2.11168  Sterimol/B2: 2.18393  Sterimol/B3: 3.5839
  Sterimol/B4: 5.4266  Sterimol/L: 18.4497 
 
 Surface and Volume Properties
  Accessible surface: 548.11  Positive charged surface: 290.526  Negative charged surface: 246.513  Volume: 283.625
  Hydrophobic surface: 452.524  Hydrophilic surface: 95.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.