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CHEMDIV-ZINC03194992

 MMsINC code: MMs00910233
Type: Neutral
Formula: C20H15NO3
SMILES:   OC(=O)c1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1
InChI:   InChI=1/C20H15NO3/c22-19(21-18-12-10-17(11-13-18)20(23)24)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,21,22)(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.344 g/mol  logS: -5.75065  SlogP: 4.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00631259  Sterimol/B1: 2.44702  Sterimol/B2: 2.74034  Sterimol/B3: 3.55067
  Sterimol/B4: 4.39163  Sterimol/L: 20.4173 
 
 Surface and Volume Properties
  Accessible surface: 576.464  Positive charged surface: 282.671  Negative charged surface: 282.722  Volume: 302.75
  Hydrophobic surface: 443.651  Hydrophilic surface: 132.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00910234
CHEMDIV-ZINC03194992