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ENAMINE-ZINC03222526

 MMsINC code: MMs01314265
Type: Neutral
Formula: C25H23NO5
SMILES:   O(C)c1ccc(cc1)C(=O)COC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1
InChI:   InChI=1/C25H23NO5/c1-30-21-14-12-19(13-15-21)23(27)17-31-25(29)22(16-18-8-4-2-5-9-18)26-24(28)20-10-6-3-7-11-20/h2-15,22H,16-17H2,1H3,(H,26,28)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.461 g/mol  logS: -5.91818  SlogP: 3.46237  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020917  Sterimol/B1: 3.15542  Sterimol/B2: 3.34241  Sterimol/B3: 4.50148
  Sterimol/B4: 7.88974  Sterimol/L: 20.961 
 
 Surface and Volume Properties
  Accessible surface: 716.074  Positive charged surface: 431.079  Negative charged surface: 284.994  Volume: 400.125
  Hydrophobic surface: 616.864  Hydrophilic surface: 99.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.