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PUBCHEM-ZINC05950839

 MMsINC code: MMs03457367
Type: Neutral
Formula: C20H16ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)C(=O)CC)=O
InChI:   InChI=1/C20H16ClNO4/c1-3-17(23)13-8-10-14(11-9-13)25-20(24)18-12(2)26-22-19(18)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.804 g/mol  logS: -6.10219  SlogP: 5.11532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392057  Sterimol/B1: 3.17635  Sterimol/B2: 4.24961  Sterimol/B3: 5.39549
  Sterimol/B4: 7.08555  Sterimol/L: 17.0932 
 
 Surface and Volume Properties
  Accessible surface: 612.501  Positive charged surface: 298.723  Negative charged surface: 313.778  Volume: 336.375
  Hydrophobic surface: 513.273  Hydrophilic surface: 99.228
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.