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CHEMBRIDGE-ZINC04165943

 MMsINC code: MMs00764221
Type: Neutral
Formula: C20H14N2O8
SMILES:   O=C1N(CCC(O)=O)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(CCC(O)=O)C1=O
InChI:   InChI=1/C20H14N2O8/c23-13(24)5-7-21-17(27)9-1-2-10-16-12(4-3-11(15(9)16)19(21)29)20(30)22(18(10)28)8-6-14(25)26/h1-4H,5-8H2,(H,23,24)(H,25,26)

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Potential Energy
Epot(MMFF94)=35.6188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.338 g/mol  logS: -4.11798  SlogP: 0.9812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0426538  Sterimol/B1: 2.09899  Sterimol/B2: 2.42429  Sterimol/B3: 4.38248
  Sterimol/B4: 7.25605  Sterimol/L: 19.9048 
 
 Surface and Volume Properties
  Accessible surface: 595.682  Positive charged surface: 326.936  Negative charged surface: 257.674  Volume: 340.25
  Hydrophobic surface: 284.285  Hydrophilic surface: 311.397
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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


MMs00764222
CHEMBRIDGE-ZINC04165943