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ENAMINE-ZINC00624127

 MMsINC code: MMs01234084
Type: Neutral
Formula: C20H20FNO4
SMILES:   Fc1ccccc1OC=1C(=O)c2c(OC=1C)c(C)c(O)c(c2)CN(C)C
InChI:   InChI=1/C20H20FNO4/c1-11-17(23)13(10-22(3)4)9-14-18(24)20(12(2)25-19(11)14)26-16-8-6-5-7-15(16)21/h5-9,23H,10H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.381 g/mol  logS: -4.57164  SlogP: 4.05332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0870301  Sterimol/B1: 1.969  Sterimol/B2: 3.9937  Sterimol/B3: 4.05752
  Sterimol/B4: 7.62321  Sterimol/L: 17.0274 
 
 Surface and Volume Properties
  Accessible surface: 599.256  Positive charged surface: 401.514  Negative charged surface: 197.742  Volume: 334.625
  Hydrophobic surface: 525.411  Hydrophilic surface: 73.845
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01234085
ENAMINE-ZINC00624127