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ASINEX-ZINC00239109

 MMsINC code: MMs00096640
Type: Neutral
Formula: C20H23ClN2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1ccc(cc1)CC
InChI:   InChI=1/C20H23ClN2O/c1-2-16-6-8-17(9-7-16)15-22-10-12-23(13-11-22)20(24)18-4-3-5-19(21)14-18/h3-9,14H,2,10-13,15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.87 g/mol  logS: -4.96308  SlogP: 4.12677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631836  Sterimol/B1: 3.19292  Sterimol/B2: 4.13622  Sterimol/B3: 4.49177
  Sterimol/B4: 6.76533  Sterimol/L: 17.1146 
 
 Surface and Volume Properties
  Accessible surface: 613.891  Positive charged surface: 377.765  Negative charged surface: 236.126  Volume: 340.375
  Hydrophobic surface: 551.832  Hydrophilic surface: 62.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00096641
ASINEX-ZINC00239109