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IBS-ZINC05424146

 MMsINC code: MMs01946090
Type: Neutral
Formula: C19H20N2O4
SMILES:   O1c2c(OCC1CNC(=O)C(=O)NC(C)c1ccccc1)cccc2
InChI:   InChI=1/C19H20N2O4/c1-13(14-7-3-2-4-8-14)21-19(23)18(22)20-11-15-12-24-16-9-5-6-10-17(16)25-15/h2-10,13,15H,11-12H2,1H3,(H,20,22)(H,21,23)/t13-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.6581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.07473  SlogP: 1.9155  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280403  Sterimol/B1: 2.45331  Sterimol/B2: 2.59617  Sterimol/B3: 4.42434
  Sterimol/B4: 6.76959  Sterimol/L: 20.0906 
 
 Surface and Volume Properties
  Accessible surface: 628.313  Positive charged surface: 384.598  Negative charged surface: 243.715  Volume: 324.875
  Hydrophobic surface: 504.136  Hydrophilic surface: 124.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.