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NCID-ZINC01626868

 MMsINC code: MMs02273201
Type: Neutral
Formula: C20H16N2O6
SMILES:   O=C1N(Cc2ccc(cc2)C(O)=O)C(=O)N(C=C1)Cc1ccc(cc1)C(O)=O
InChI:   InChI=1/C20H16N2O6/c23-17-9-10-21(11-13-1-5-15(6-2-13)18(24)25)20(28)22(17)12-14-3-7-16(8-4-14)19(26)27/h1-10H,11-12H2,(H,24,25)(H,26,27)

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Potential Energy
Epot(MMFF94)=42.3197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.356 g/mol  logS: -3.67567  SlogP: 3.0939  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713382  Sterimol/B1: 2.62594  Sterimol/B2: 3.82665  Sterimol/B3: 4.45231
  Sterimol/B4: 6.77709  Sterimol/L: 19.7518 
 
 Surface and Volume Properties
  Accessible surface: 605.286  Positive charged surface: 337.562  Negative charged surface: 267.723  Volume: 338.125
  Hydrophobic surface: 353.386  Hydrophilic surface: 251.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs02273202
NCID-ZINC01626868