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PUBCHEM-ZINC01529729

 MMsINC code: MMs02813023
Type: Neutral
Formula: C19H20N2O4
SMILES:   OC(=O)C(NC(=O)c1ccccc1)CCCNC(=O)c1ccccc1
InChI:   InChI=1/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.5129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -3.87086  SlogP: 2.0798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0585207  Sterimol/B1: 2.98529  Sterimol/B2: 3.91096  Sterimol/B3: 4.56908
  Sterimol/B4: 8.55374  Sterimol/L: 17.0893 
 
 Surface and Volume Properties
  Accessible surface: 629.328  Positive charged surface: 353.034  Negative charged surface: 276.294  Volume: 328.375
  Hydrophobic surface: 467.791  Hydrophilic surface: 161.537
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02813024
PUBCHEM-ZINC01529729