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PUBCHEM-ZINC00213328

 MMsINC code: MMs02640316
Type: Neutral
Formula: C18H16FNO4
SMILES:   Fc1cc\2c(NC(=O)/C/2=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChI:   InChI=1/C18H16FNO4/c1-22-15-7-10(8-16(23-2)17(15)24-3)6-13-12-9-11(19)4-5-14(12)20-18(13)21/h4-9H,1-3H3,(H,20,21)/b13-6+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.327 g/mol  logS: -4.4388  SlogP: 3.3442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158277  Sterimol/B1: 2.37821  Sterimol/B2: 2.55357  Sterimol/B3: 5.58905
  Sterimol/B4: 7.93771  Sterimol/L: 13.3035 
 
 Surface and Volume Properties
  Accessible surface: 535.957  Positive charged surface: 375.116  Negative charged surface: 160.84  Volume: 297.125
  Hydrophobic surface: 436.655  Hydrophilic surface: 99.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.