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PUBCHEM-ZINC01459167

 MMsINC code: MMs02808270
Type: Neutral
Formula: C15H20ClNO3
SMILES:   Clc1ccc(cc1OC(C(=O)NCC1OCCC1)C)C
InChI:   InChI=1/C15H20ClNO3/c1-10-5-6-13(16)14(8-10)20-11(2)15(18)17-9-12-4-3-7-19-12/h5-6,8,11-12H,3-4,7,9H2,1-2H3,(H,17,18)/t11-,12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.3994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.782 g/mol  logS: -3.83827  SlogP: 2.71092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440305  Sterimol/B1: 1.99884  Sterimol/B2: 2.80554  Sterimol/B3: 4.56522
  Sterimol/B4: 7.83031  Sterimol/L: 16.782 
 
 Surface and Volume Properties
  Accessible surface: 562.439  Positive charged surface: 358.199  Negative charged surface: 204.24  Volume: 284
  Hydrophobic surface: 490.785  Hydrophilic surface: 71.654
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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: no related molecules available.