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AURORAFEINCHEMIE-ZINC04089530

 MMsINC code: MMs00468415
Type: Neutral
Formula: C18H14N2O4
SMILES:   O=C1N(c2cc(ccc2)C(O)=O)C(=O)N2C1Cc1c(C2)cccc1
InChI:   InChI=1/C18H14N2O4/c21-16-15-9-11-4-1-2-5-13(11)10-19(15)18(24)20(16)14-7-3-6-12(8-14)17(22)23/h1-8,15H,9-10H2,(H,22,23)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=72.4047 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.32 g/mol  logS: -3.67353  SlogP: 2.54467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318029  Sterimol/B1: 2.097  Sterimol/B2: 3.1964  Sterimol/B3: 4.30709
  Sterimol/B4: 5.48208  Sterimol/L: 17.0469 
 
 Surface and Volume Properties
  Accessible surface: 523.802  Positive charged surface: 294.632  Negative charged surface: 229.17  Volume: 287
  Hydrophobic surface: 359.232  Hydrophilic surface: 164.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00468416
AURORAFEINCHEMIE-ZINC04089530