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CHEMBLOCK-ZINC04653426

 MMsINC code: MMs00567736
Type: Neutral
Formula: C18H20ClNO5
SMILES:   Clc1ccccc1OCCNC(=O)c1cc(OC)c(OC)cc1OC
InChI:   InChI=1/C18H20ClNO5/c1-22-15-11-17(24-3)16(23-2)10-12(15)18(21)20-8-9-25-14-7-5-4-6-13(14)19/h4-7,10-11H,8-9H2,1-3H3,(H,20,21)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=114.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.813 g/mol  logS: -4.26116  SlogP: 3.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0455668  Sterimol/B1: 2.36579  Sterimol/B2: 2.5569  Sterimol/B3: 5.62578
  Sterimol/B4: 8.38597  Sterimol/L: 17.5197 
 
 Surface and Volume Properties
  Accessible surface: 640.502  Positive charged surface: 453.089  Negative charged surface: 187.413  Volume: 336.125
  Hydrophobic surface: 584  Hydrophilic surface: 56.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.