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CHEMDIV-ZINC01751470

 MMsINC code: MMs00867657
Type: Neutral
Formula: C20H18ClFO3
SMILES:   Clc1cc2c(OC(=O)C(CCC)=C2C)cc1OCc1ccc(F)cc1
InChI:   InChI=1/C20H18ClFO3/c1-3-4-15-12(2)16-9-17(21)19(10-18(16)25-20(15)23)24-11-13-5-7-14(22)8-6-13/h5-10H,3-4,11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.812 g/mol  logS: -6.99634  SlogP: 5.8171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388502  Sterimol/B1: 3.20853  Sterimol/B2: 3.51995  Sterimol/B3: 4.15907
  Sterimol/B4: 6.22252  Sterimol/L: 19.5162 
 
 Surface and Volume Properties
  Accessible surface: 610.384  Positive charged surface: 317.102  Negative charged surface: 293.282  Volume: 327.25
  Hydrophobic surface: 528.082  Hydrophilic surface: 82.302
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.