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PUBCHEM-ZINC02572965

 MMsINC code: MMs02903228
Type: Neutral
Formula: C20H24Cl2N2O2
SMILES:   Clc1cccc(Cl)c1N1CCN(CC1)CCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H24Cl2N2O2/c1-25-18-7-6-15(14-19(18)26-2)8-9-23-10-12-24(13-11-23)20-16(21)4-3-5-17(20)22/h3-7,14H,8-13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=199.844 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.33 g/mol  logS: -4.75773  SlogP: 4.37527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0399008  Sterimol/B1: 2.61233  Sterimol/B2: 3.4375  Sterimol/B3: 3.47896
  Sterimol/B4: 7.41229  Sterimol/L: 20.1157 
 
 Surface and Volume Properties
  Accessible surface: 656.084  Positive charged surface: 440.433  Negative charged surface: 215.652  Volume: 364.75
  Hydrophobic surface: 627.377  Hydrophilic surface: 28.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02903229
PUBCHEM-ZINC02572965