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ASINEX-ZINC01337730

 MMsINC code: MMs00238941
Type: Neutral
Formula: C19H18N2O3
SMILES:   O(C)c1cc(cc(OC)c1)CNC(=O)c1nccc2c1cccc2
InChI:   InChI=1/C19H18N2O3/c1-23-15-9-13(10-16(11-15)24-2)12-21-19(22)18-17-6-4-3-5-14(17)7-8-20-18/h3-11H,12H2,1-2H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.55 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.364 g/mol  logS: -4.17233  SlogP: 3.4484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082206  Sterimol/B1: 2.41572  Sterimol/B2: 3.92451  Sterimol/B3: 5.10054
  Sterimol/B4: 6.97498  Sterimol/L: 17.3674 
 
 Surface and Volume Properties
  Accessible surface: 594.381  Positive charged surface: 414.016  Negative charged surface: 169.072  Volume: 313.625
  Hydrophobic surface: 515.393  Hydrophilic surface: 78.988
 
 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: no related molecules available.