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CHEMBRIDGE-ZINC04019226

 MMsINC code: MMs00759556
Type: Neutral
Formula: C19H23ClFNO3
SMILES:   Clc1cc(cc(OC)c1OCc1ccc(F)cc1)CNC(CO)(C)C
InChI:   InChI=1/C19H23ClFNO3/c1-19(2,12-23)22-10-14-8-16(20)18(17(9-14)24-3)25-11-13-4-6-15(21)7-5-13/h4-9,22-23H,10-12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.848 g/mol  logS: -4.47519  SlogP: 4.46  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367859  Sterimol/B1: 2.48719  Sterimol/B2: 4.17462  Sterimol/B3: 4.58612
  Sterimol/B4: 6.09582  Sterimol/L: 19.443 
 
 Surface and Volume Properties
  Accessible surface: 641.548  Positive charged surface: 400.834  Negative charged surface: 240.714  Volume: 347
  Hydrophobic surface: 531.04  Hydrophilic surface: 110.508
 
 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


MMs00759557
CHEMBRIDGE-ZINC04019226