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PUBCHEM-ZINC05682421

 MMsINC code: MMs03346243
Type: Neutral
Formula: C15H12FNO2
SMILES:   Fc1ccc(cc1)C(O\N=C\c1ccc(cc1)C)=O
InChI:   InChI=1/C15H12FNO2/c1-11-2-4-12(5-3-11)10-17-19-15(18)13-6-8-14(16)9-7-13/h2-10H,1H3/b17-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.0504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.264 g/mol  logS: -4.45112  SlogP: 3.32502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00244961  Sterimol/B1: 2.10265  Sterimol/B2: 2.51215  Sterimol/B3: 3.31637
  Sterimol/B4: 4.63302  Sterimol/L: 17.5847 
 
 Surface and Volume Properties
  Accessible surface: 504.651  Positive charged surface: 268.365  Negative charged surface: 236.286  Volume: 243.375
  Hydrophobic surface: 437.58  Hydrophilic surface: 67.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.