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ASINEX-ZINC00255443

 MMsINC code: MMs00100535
Type: Neutral
Formula: C19H23ClN2O
SMILES:   Clc1ccc(cc1)CN1CCN(CC1)Cc1cc(OC)ccc1
InChI:   InChI=1/C19H23ClN2O/c1-23-19-4-2-3-17(13-19)15-22-11-9-21(10-12-22)14-16-5-7-18(20)8-6-16/h2-8,13H,9-12,14-15H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.859 g/mol  logS: -3.85563  SlogP: 4.1992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747328  Sterimol/B1: 3.093  Sterimol/B2: 3.20282  Sterimol/B3: 3.73101
  Sterimol/B4: 8.33694  Sterimol/L: 15.7685 
 
 Surface and Volume Properties
  Accessible surface: 603.774  Positive charged surface: 407.739  Negative charged surface: 196.036  Volume: 330.75
  Hydrophobic surface: 578.758  Hydrophilic surface: 25.016
 
 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


MMs00100536
ASINEX-ZINC00255443