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PUBCHEM-ZINC03699335

 MMsINC code: MMs03047888
Type: Neutral
Formula: C20H24Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)C(N1CCCNCC1)c1cc(OC)ccc1OC
InChI:   InChI=1/C20H24Cl2N2O2/c1-25-15-5-7-19(26-2)16(13-15)20(24-10-3-8-23-9-11-24)14-4-6-17(21)18(22)12-14/h4-7,12-13,20,23H,3,8-11H2,1-2H3/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.33 g/mol  logS: -4.71112  SlogP: 4.4908  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.341914  Sterimol/B1: 2.30495  Sterimol/B2: 3.86399  Sterimol/B3: 6.5902
  Sterimol/B4: 10.0965  Sterimol/L: 12.1328 
 
 Surface and Volume Properties
  Accessible surface: 620.312  Positive charged surface: 417.925  Negative charged surface: 202.387  Volume: 364.125
  Hydrophobic surface: 587.649  Hydrophilic surface: 32.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03047889
PUBCHEM-ZINC03699335