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CHEMBLOCK-ZINC00059633

 MMsINC code: MMs00491662
Type: Neutral
Formula: C16H16N2O3
SMILES:   O(C)c1ccc(cc1)C(=O)N\N=C\c1ccc(OC)cc1
InChI:   InChI=1/C16H16N2O3/c1-20-14-7-3-12(4-8-14)11-17-18-16(19)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3,(H,18,19)/b17-11+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.315 g/mol  logS: -3.63891  SlogP: 2.4677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00324284  Sterimol/B1: 2.3753  Sterimol/B2: 2.37822  Sterimol/B3: 3.47966
  Sterimol/B4: 5.38426  Sterimol/L: 20.2602 
 
 Surface and Volume Properties
  Accessible surface: 556.729  Positive charged surface: 368.715  Negative charged surface: 188.014  Volume: 275.5
  Hydrophobic surface: 462.552  Hydrophilic surface: 94.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00491663
CHEMBLOCK-ZINC00059633