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IBS-ZINC06662756

 MMsINC code: MMs01963149
Type: Neutral
Formula: C20H16N2O5
SMILES:   O1C(c2c(cccc2)C1=O)C1C(=O)N(C(C)c2ccccc2)C(=O)NC1=O
InChI:   InChI=1/C20H16N2O5/c1-11(12-7-3-2-4-8-12)22-18(24)15(17(23)21-20(22)26)16-13-9-5-6-10-14(13)19(25)27-16/h2-11,15-16H,1H3,(H,21,23,26)/t11-,15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.357 g/mol  logS: -4.57186  SlogP: 2.5449  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.338854  Sterimol/B1: 2.41834  Sterimol/B2: 5.53834  Sterimol/B3: 5.61545
  Sterimol/B4: 6.74593  Sterimol/L: 11.4766 
 
 Surface and Volume Properties
  Accessible surface: 551.272  Positive charged surface: 290.512  Negative charged surface: 260.76  Volume: 323.75
  Hydrophobic surface: 377.148  Hydrophilic surface: 174.124
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.