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ASINEX-ZINC04614810

 MMsINC code: MMs00356380
Type: Neutral
Formula: C20H23ClN2O3
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1cc(OC)c(OC)cc1
InChI:   InChI=1/C20H23ClN2O3/c1-25-18-7-6-15(12-19(18)26-2)14-22-8-10-23(11-9-22)20(24)16-4-3-5-17(21)13-16/h3-7,12-13H,8-11,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.323 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.868 g/mol  logS: -4.0747  SlogP: 3.5816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124039  Sterimol/B1: 2.95231  Sterimol/B2: 4.34224  Sterimol/B3: 6.24459
  Sterimol/B4: 6.44911  Sterimol/L: 16.6439 
 
 Surface and Volume Properties
  Accessible surface: 637.742  Positive charged surface: 431.299  Negative charged surface: 206.443  Volume: 352.625
  Hydrophobic surface: 581.621  Hydrophilic surface: 56.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00356381
ASINEX-ZINC04614810