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ASINEX-ZINC00184187

 MMsINC code: MMs00087294
Type: Neutral
Formula: C14H19ClN2O3
SMILES:   Clc1cc(C(=O)NCCN2CCOCC2)c(OC)cc1
InChI:   InChI=1/C14H19ClN2O3/c1-19-13-3-2-11(15)10-12(13)14(18)16-4-5-17-6-8-20-9-7-17/h2-3,10H,4-9H2,1H3,(H,16,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.0075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.77 g/mol  logS: -2.50505  SlogP: 1.4106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286569  Sterimol/B1: 2.55005  Sterimol/B2: 2.75532  Sterimol/B3: 3.55126
  Sterimol/B4: 8.54972  Sterimol/L: 15.7647 
 
 Surface and Volume Properties
  Accessible surface: 548.695  Positive charged surface: 394.728  Negative charged surface: 153.967  Volume: 278
  Hydrophobic surface: 493.146  Hydrophilic surface: 55.549
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00087295
ASINEX-ZINC00184187