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PUBCHEM-ZINC00282553

 MMsINC code: MMs02650175
Type: Neutral
Formula: C19H23ClN2O2
SMILES:   Clc1ccccc1N1CCN(CC1)Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C19H23ClN2O2/c1-23-18-8-7-15(13-19(18)24-2)14-21-9-11-22(12-10-21)17-6-4-3-5-16(17)20/h3-8,13H,9-12,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=167.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.858 g/mol  logS: -3.96197  SlogP: 3.9458  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133583  Sterimol/B1: 2.20749  Sterimol/B2: 2.27713  Sterimol/B3: 5.96609
  Sterimol/B4: 7.21339  Sterimol/L: 17.1273 
 
 Surface and Volume Properties
  Accessible surface: 609.852  Positive charged surface: 433.145  Negative charged surface: 176.707  Volume: 335.625
  Hydrophobic surface: 575.569  Hydrophilic surface: 34.283
 
 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


MMs02650176
PUBCHEM-ZINC00282553