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CHEMDIV-ZINC04550299

 MMsINC code: MMs00936933
Type: Neutral
Formula: C23H15NO5
SMILES:   O=C1N(C(=O)c2c1cc(cc2)C(=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)C
InChI:   InChI=1/C23H15NO5/c1-13-2-9-17(10-3-13)24-21(26)18-11-8-16(12-19(18)22(24)27)20(25)14-4-6-15(7-5-14)23(28)29/h2-12H,1H3,(H,28,29)

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Potential Energy
Epot(MMFF94)=128.44 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.375 g/mol  logS: -6.27472  SlogP: 3.72482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.016014  Sterimol/B1: 2.63832  Sterimol/B2: 2.82143  Sterimol/B3: 4.13127
  Sterimol/B4: 7.56689  Sterimol/L: 18.8652 
 
 Surface and Volume Properties
  Accessible surface: 625.738  Positive charged surface: 321.891  Negative charged surface: 303.848  Volume: 348.625
  Hydrophobic surface: 423.622  Hydrophilic surface: 202.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00936934
CHEMDIV-ZINC04550299