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CHEMDIV-ZINC03908576

 MMsINC code: MMs00920326
Type: Neutral
Formula: C18H14N2O4
SMILES:   o1nc(cc1-c1ccccc1O)C(=O)Nc1ccc(cc1)C(=O)C
InChI:   InChI=1/C18H14N2O4/c1-11(21)12-6-8-13(9-7-12)19-18(23)15-10-17(24-20-15)14-4-2-3-5-16(14)22/h2-10,22H,1H3,(H,19,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.32 g/mol  logS: -4.49964  SlogP: 3.5021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00884407  Sterimol/B1: 2.27553  Sterimol/B2: 3.171  Sterimol/B3: 3.91685
  Sterimol/B4: 4.26235  Sterimol/L: 20.0075 
 
 Surface and Volume Properties
  Accessible surface: 567.868  Positive charged surface: 306.144  Negative charged surface: 261.724  Volume: 295.75
  Hydrophobic surface: 407.61  Hydrophilic surface: 160.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.