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CHEMBRIDGE-ZINC01808391

 MMsINC code: MMs00698536
Type: Neutral
Formula: C24H27Cl2NO3
SMILES:   Clc1cc(Cl)ccc1C1=COc2c(ccc(O)c2CN(CC(C)C)CC(C)C)C1=O
InChI:   InChI=1/C24H27Cl2NO3/c1-14(2)10-27(11-15(3)4)12-19-22(28)8-7-18-23(29)20(13-30-24(18)19)17-6-5-16(25)9-21(17)26/h5-9,13-15,28H,10-12H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.737 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.39 g/mol  logS: -6.69886  SlogP: 6.6956  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.167337  Sterimol/B1: 2.76763  Sterimol/B2: 3.46623  Sterimol/B3: 5.52674
  Sterimol/B4: 8.94399  Sterimol/L: 16.4996 
 
 Surface and Volume Properties
  Accessible surface: 664.862  Positive charged surface: 364.375  Negative charged surface: 300.488  Volume: 420.625
  Hydrophobic surface: 544.343  Hydrophilic surface: 120.519
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00698537
CHEMBRIDGE-ZINC01808391