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CHEMDIV-ZINC03583852

 MMsINC code: MMs00910953
Type: Neutral
Formula: C23H16ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc2c(cccc2)c1C(=O)C)=O
InChI:   InChI=1/C23H16ClNO4/c1-13(26)20-16-8-4-3-7-15(16)11-12-19(20)28-23(27)21-14(2)29-25-22(21)17-9-5-6-10-18(17)24/h3-12H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.837 g/mol  logS: -7.7783  SlogP: 5.87842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138862  Sterimol/B1: 2.18747  Sterimol/B2: 4.0363  Sterimol/B3: 5.09039
  Sterimol/B4: 10.0893  Sterimol/L: 15.1981 
 
 Surface and Volume Properties
  Accessible surface: 614.543  Positive charged surface: 273.487  Negative charged surface: 331.49  Volume: 366.75
  Hydrophobic surface: 544.67  Hydrophilic surface: 69.873
 
 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.