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ENAMINE-ZINC06639473

 MMsINC code: MMs01688738
Type: Neutral
Formula: C19H22ClNO4
SMILES:   Clc1cc(NC(=O)c2cc(OC)c(OCCCC)cc2)ccc1OC
InChI:   InChI=1/C19H22ClNO4/c1-4-5-10-25-17-8-6-13(11-18(17)24-3)19(22)21-14-7-9-16(23-2)15(20)12-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.841 g/mol  logS: -5.2845  SlogP: 4.7884  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141977  Sterimol/B1: 2.46125  Sterimol/B2: 2.90785  Sterimol/B3: 3.59869
  Sterimol/B4: 8.25116  Sterimol/L: 21.3888 
 
 Surface and Volume Properties
  Accessible surface: 661.972  Positive charged surface: 444.678  Negative charged surface: 217.294  Volume: 342.75
  Hydrophobic surface: 584.141  Hydrophilic surface: 77.831
 
 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.