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ENAMINE-ZINC05044681

 MMsINC code: MMs01578652
Type: Neutral
Formula: C18H18ClNO4
SMILES:   Clc1cccc(NC(=O)COc2ccc(cc2)C(OCC)=O)c1C
InChI:   InChI=1/C18H18ClNO4/c1-3-23-18(22)13-7-9-14(10-8-13)24-11-17(21)20-16-6-4-5-15(19)12(16)2/h4-10H,3,11H2,1-2H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.8968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.798 g/mol  logS: -5.03539  SlogP: 3.84262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0107124  Sterimol/B1: 2.46139  Sterimol/B2: 2.63233  Sterimol/B3: 3.06022
  Sterimol/B4: 6.68521  Sterimol/L: 20.6691 
 
 Surface and Volume Properties
  Accessible surface: 624.867  Positive charged surface: 355.837  Negative charged surface: 269.031  Volume: 319.375
  Hydrophobic surface: 519.365  Hydrophilic surface: 105.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.