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CHEMBRIDGE-ZINC05014080

 MMsINC code: MMs00826755
Type: Neutral
Formula: C20H19Cl2NO2
SMILES:   Clc1cc(Cl)ccc1COc1ccc2c(cccc2)c1CNCCO
InChI:   InChI=1/C20H19Cl2NO2/c21-16-7-5-15(19(22)11-16)13-25-20-8-6-14-3-1-2-4-17(14)18(20)12-23-9-10-24/h1-8,11,23-24H,9-10,12-13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.283 g/mol  logS: -6.08758  SlogP: 5.3403  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602443  Sterimol/B1: 3.07639  Sterimol/B2: 3.89254  Sterimol/B3: 4.08999
  Sterimol/B4: 8.2981  Sterimol/L: 17.301 
 
 Surface and Volume Properties
  Accessible surface: 628.417  Positive charged surface: 318.682  Negative charged surface: 299.521  Volume: 346.375
  Hydrophobic surface: 559.921  Hydrophilic surface: 68.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00826756
CHEMBRIDGE-ZINC05014080