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NCID-ZINC05808233

 MMsINC code: MMs02498279
Type: Neutral
Formula: C20H20N2O5
SMILES:   O1C(C(N(C(=O)CNC(OCc2ccccc2)=O)C1=O)C)c1ccccc1
InChI:   InChI=1/C20H20N2O5/c1-14-18(16-10-6-3-7-11-16)27-20(25)22(14)17(23)12-21-19(24)26-13-15-8-4-2-5-9-15/h2-11,14,18H,12-13H2,1H3,(H,21,24)/t14-,18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4411 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.389 g/mol  logS: -4.38249  SlogP: 3.3833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452854  Sterimol/B1: 2.0998  Sterimol/B2: 3.81769  Sterimol/B3: 4.31351
  Sterimol/B4: 5.15224  Sterimol/L: 20.7386 
 
 Surface and Volume Properties
  Accessible surface: 641.722  Positive charged surface: 377.112  Negative charged surface: 264.61  Volume: 344.5
  Hydrophobic surface: 473.898  Hydrophilic surface: 167.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.