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ENAMINE-ZINC05128760

MMsINC code: MMs01591405

Type: Neutral
Formula: C23H15NO5
SMILES:   O=C1c2c(cccc2NC(=O)COC(=O)c2ccccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C23H15NO5/c25-19(13-29-23(28)14-7-2-1-3-8-14)24-18-12-6-11-17-20(18)22(27)16-10-5-4-9-15(16)21(17)26/h1-12H,13H2,(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=120.214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.375 g/mol  logS: -6.26316  SlogP: 3.2575  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0134194  Sterimol/B1: 2.1804  Sterimol/B2: 3.78851  Sterimol/B3: 5.42967
  Sterimol/B4: 5.74684  Sterimol/L: 20.2891 
 
 Surface and Volume Properties
  Accessible surface: 632.909  Positive charged surface: 343.26  Negative charged surface: 289.649  Volume: 349.625
  Hydrophobic surface: 494.236  Hydrophilic surface: 138.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.