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CHEMBRIDGE-ZINC00702218

 MMsINC code: MMs00640946
Type: Neutral
Formula: C20H19ClN2O4
SMILES:   Clc1cc(Nc2c3cc(OC)ccc3ncc2C(OCC)=O)c(OC)cc1
InChI:   InChI=1/C20H19ClN2O4/c1-4-27-20(24)15-11-22-16-7-6-13(25-2)10-14(16)19(15)23-17-9-12(21)5-8-18(17)26-3/h5-11H,4H2,1-3H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.835 g/mol  logS: -5.13773  SlogP: 4.8257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137318  Sterimol/B1: 2.41586  Sterimol/B2: 4.09495  Sterimol/B3: 6.41782
  Sterimol/B4: 9.70124  Sterimol/L: 16.4861 
 
 Surface and Volume Properties
  Accessible surface: 647.217  Positive charged surface: 439.051  Negative charged surface: 205.379  Volume: 354.125
  Hydrophobic surface: 555.242  Hydrophilic surface: 91.975
 
 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.