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CHEMDIV-ZINC00678439

 MMsINC code: MMs00856955
Type: Neutral
Formula: C19H14ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)C(=O)C)=O
InChI:   InChI=1/C19H14ClNO4/c1-11(22)13-7-9-14(10-8-13)24-19(23)17-12(2)25-21-18(17)15-5-3-4-6-16(15)20/h3-10H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.777 g/mol  logS: -5.90042  SlogP: 4.72522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513879  Sterimol/B1: 2.26273  Sterimol/B2: 2.90509  Sterimol/B3: 4.45546
  Sterimol/B4: 10.1594  Sterimol/L: 15.8883 
 
 Surface and Volume Properties
  Accessible surface: 583.999  Positive charged surface: 265.122  Negative charged surface: 318.877  Volume: 318.625
  Hydrophobic surface: 494.322  Hydrophilic surface: 89.677
 
 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.