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ENAMINE-ZINC05463560

 MMsINC code: MMs01616318
Type: Neutral
Formula: C18H20ClNO4
SMILES:   Clc1cc(NC(=O)COc2ccccc2OCCC)ccc1OC
InChI:   InChI=1/C18H20ClNO4/c1-3-10-23-16-6-4-5-7-17(16)24-12-18(21)20-13-8-9-15(22-2)14(19)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=107.985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.814 g/mol  logS: -4.79572  SlogP: 4.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0166341  Sterimol/B1: 2.5429  Sterimol/B2: 3.0297  Sterimol/B3: 3.36664
  Sterimol/B4: 9.75317  Sterimol/L: 17.2213 
 
 Surface and Volume Properties
  Accessible surface: 646.865  Positive charged surface: 409.297  Negative charged surface: 237.569  Volume: 325.875
  Hydrophobic surface: 560.307  Hydrophilic surface: 86.558
 
 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: no related molecules available.