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PUBCHEM-ZINC02013239

 MMsINC code: MMs02850478
Type: Neutral
Formula: C19H16FNO4
SMILES:   Fc1ccc(cc1)C(=O)c1c2c(n(CC(O)=O)c1C)cc(OC)cc2
InChI:   InChI=1/C19H16FNO4/c1-11-18(19(24)12-3-5-13(20)6-4-12)15-8-7-14(25-2)9-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.6374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.338 g/mol  logS: -4.29619  SlogP: 3.67942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169067  Sterimol/B1: 3.22149  Sterimol/B2: 3.479  Sterimol/B3: 5.5758
  Sterimol/B4: 7.97076  Sterimol/L: 14.5039 
 
 Surface and Volume Properties
  Accessible surface: 570.031  Positive charged surface: 320.167  Negative charged surface: 246.566  Volume: 311.125
  Hydrophobic surface: 443.172  Hydrophilic surface: 126.859
 
 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


MMs02850479
PUBCHEM-ZINC02013239