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PUBCHEM-ZINC04473731

 MMsINC code: MMs03124474
Type: Neutral
Formula: C19H22N2O4
SMILES:   O(C)c1ccc(cc1)/C(/NO)=C/C\C=C(\NO)/c1ccc(OC)cc1
InChI:   InChI=1/C19H22N2O4/c1-24-16-10-6-14(7-11-16)18(20-22)4-3-5-19(21-23)15-8-12-17(25-2)13-9-15/h4-13,20-23H,3H2,1-2H3/b18-4+,19-5+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -3.24126  SlogP: 3.4335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171349  Sterimol/B1: 2.21921  Sterimol/B2: 3.50234  Sterimol/B3: 5.60694
  Sterimol/B4: 9.40144  Sterimol/L: 14.0109 
 
 Surface and Volume Properties
  Accessible surface: 632.457  Positive charged surface: 443.737  Negative charged surface: 188.72  Volume: 333.875
  Hydrophobic surface: 437.219  Hydrophilic surface: 195.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.