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ENAMINE-ZINC04550072

 MMsINC code: MMs01547108
Type: Neutral
Formula: C19H20ClNO6
SMILES:   Clc1cc(c2OCOCc2c1)COC(=O)c1c(C)c([nH]c1C)C(OCC)=O
InChI:   InChI=1/C19H20ClNO6/c1-4-25-19(23)16-10(2)15(11(3)21-16)18(22)26-8-13-6-14(20)5-12-7-24-9-27-17(12)13/h5-6,21H,4,7-9H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.1951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.823 g/mol  logS: -4.06866  SlogP: 4.21794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0727426  Sterimol/B1: 3.75699  Sterimol/B2: 4.68185  Sterimol/B3: 5.25828
  Sterimol/B4: 5.75553  Sterimol/L: 19.5433 
 
 Surface and Volume Properties
  Accessible surface: 670.077  Positive charged surface: 410.969  Negative charged surface: 259.108  Volume: 350.75
  Hydrophobic surface: 495.339  Hydrophilic surface: 174.738
 
 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.