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CHEMBRIDGE-ZINC04858147

 MMsINC code: MMs00804250
Type: Neutral
Formula: C19H23Cl2NO3
SMILES:   Clc1cc(cc(OC)c1OCc1ccccc1Cl)CNC(CO)(C)C
InChI:   InChI=1/C19H23Cl2NO3/c1-19(2,12-23)22-10-13-8-16(21)18(17(9-13)24-3)25-11-14-6-4-5-7-15(14)20/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)=98.1135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.303 g/mol  logS: -4.9145  SlogP: 4.9743  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594665  Sterimol/B1: 4.19259  Sterimol/B2: 4.56722  Sterimol/B3: 4.82955
  Sterimol/B4: 6.11123  Sterimol/L: 19.1866 
 
 Surface and Volume Properties
  Accessible surface: 658.622  Positive charged surface: 395.271  Negative charged surface: 263.351  Volume: 357.375
  Hydrophobic surface: 556.635  Hydrophilic surface: 101.987
 
 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


MMs00804251
CHEMBRIDGE-ZINC04858147