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ENAMINE-ZINC03316563

 MMsINC code: MMs01367261
Type: Neutral
Formula: C20H16ClNO4
SMILES:   Clc1ccc(cc1)C(=O)c1ccccc1C(OCc1c(noc1C)C)=O
InChI:   InChI=1/C20H16ClNO4/c1-12-18(13(2)26-22-12)11-25-20(24)17-6-4-3-5-16(17)19(23)14-7-9-15(21)10-8-14/h3-10H,11H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.3192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.804 g/mol  logS: -5.61474  SlogP: 4.79924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187817  Sterimol/B1: 2.3543  Sterimol/B2: 5.23727  Sterimol/B3: 6.02208
  Sterimol/B4: 7.49938  Sterimol/L: 13.7305 
 
 Surface and Volume Properties
  Accessible surface: 617.992  Positive charged surface: 292.83  Negative charged surface: 325.162  Volume: 335.75
  Hydrophobic surface: 543.526  Hydrophilic surface: 74.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.