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ASINEX-ZINC00236116

MMsINC code: MMs00095780

Type: Neutral
Formula: C15H13NO4
SMILES:   O(C)c1ccccc1NC(=O)c1ccccc1C(O)=O
InChI:   InChI=1/C15H13NO4/c1-20-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=89.4256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.272 g/mol  logS: -3.37465  SlogP: 2.6457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163924  Sterimol/B1: 2.42557  Sterimol/B2: 3.23134  Sterimol/B3: 5.05886
  Sterimol/B4: 6.76775  Sterimol/L: 13.8818 
 
 Surface and Volume Properties
  Accessible surface: 496.21  Positive charged surface: 315.877  Negative charged surface: 180.332  Volume: 250.75
  Hydrophobic surface: 378.18  Hydrophilic surface: 118.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00095781
ASINEX-ZINC00236116