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CHEMDIV-ZINC00425636

 MMsINC code: MMs00851174
Type: Neutral
Formula: C18H16N2O5
SMILES:   o1nc(cc1-c1cc(OC)c(OC)cc1)C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C18H16N2O5/c1-23-15-7-6-11(8-17(15)24-2)16-10-14(20-25-16)18(22)19-12-4-3-5-13(21)9-12/h3-10,21H,1-2H3,(H,19,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.335 g/mol  logS: -4.28813  SlogP: 3.3167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0141947  Sterimol/B1: 2.08669  Sterimol/B2: 2.52626  Sterimol/B3: 3.5152
  Sterimol/B4: 7.48078  Sterimol/L: 19.4634 
 
 Surface and Volume Properties
  Accessible surface: 601.507  Positive charged surface: 391.851  Negative charged surface: 209.655  Volume: 309.25
  Hydrophobic surface: 456.711  Hydrophilic surface: 144.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.