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ENAMINE-ZINC03543414

 MMsINC code: MMs01499392
Type: Neutral
Formula: C24H22N2O5
SMILES:   O(C)c1ccccc1CNC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChI:   InChI=1/C24H22N2O5/c1-30-21-14-8-5-11-18(21)15-25-22(27)16-31-24(29)19-12-6-7-13-20(19)26-23(28)17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.551 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.449 g/mol  logS: -5.72745  SlogP: 3.6871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0597433  Sterimol/B1: 2.38543  Sterimol/B2: 6.2497  Sterimol/B3: 7.27592
  Sterimol/B4: 7.66838  Sterimol/L: 18.9839 
 
 Surface and Volume Properties
  Accessible surface: 731.737  Positive charged surface: 461.354  Negative charged surface: 270.384  Volume: 397.375
  Hydrophobic surface: 620.02  Hydrophilic surface: 111.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.