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ENAMINE-ZINC03504430

 MMsINC code: MMs01478797
Type: Neutral
Formula: C23H18N2O5
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C23H18N2O5/c26-20(24-25-22(28)17-11-5-2-6-12-17)15-30-23(29)19-14-8-7-13-18(19)21(27)16-9-3-1-4-10-16/h1-14H,15H2,(H,24,26)(H,25,28)

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Potential Energy
Epot(MMFF94)=128.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.406 g/mol  logS: -6.06438  SlogP: 2.5356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0370663  Sterimol/B1: 2.57481  Sterimol/B2: 2.96007  Sterimol/B3: 5.4852
  Sterimol/B4: 9.64936  Sterimol/L: 19.3169 
 
 Surface and Volume Properties
  Accessible surface: 693.936  Positive charged surface: 367.718  Negative charged surface: 326.218  Volume: 373.375
  Hydrophobic surface: 537.587  Hydrophilic surface: 156.349
 
 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.