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CHEMBRIDGE-ZINC04993822

 MMsINC code: MMs00823720
Type: Neutral
Formula: C20H16ClFO5
SMILES:   Clc1cc(F)ccc1COc1ccc2c(OC(=O)C(CC(O)=O)=C2C)c1C
InChI:   InChI=1/C20H16ClFO5/c1-10-14-5-6-17(26-9-12-3-4-13(22)7-16(12)21)11(2)19(14)27-20(25)15(10)8-18(23)24/h3-7H,8-9H2,1-2H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.1047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.794 g/mol  logS: -5.99677  SlogP: 4.80012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020731  Sterimol/B1: 2.36253  Sterimol/B2: 3.0457  Sterimol/B3: 3.93025
  Sterimol/B4: 6.74033  Sterimol/L: 19.2285 
 
 Surface and Volume Properties
  Accessible surface: 607.306  Positive charged surface: 302.632  Negative charged surface: 304.674  Volume: 333.625
  Hydrophobic surface: 467.661  Hydrophilic surface: 139.645
 
 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


MMs00823721
CHEMBRIDGE-ZINC04993822