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CHEMBRIDGE-ZINC04315415

 MMsINC code: MMs00768088
Type: Neutral
Formula: C18H15NO4
SMILES:   O=C1N(c2ccccc2C(O)=O)C(=O)CC(C1)c1ccccc1
InChI:   InChI=1/C18H15NO4/c20-16-10-13(12-6-2-1-3-7-12)11-17(21)19(16)15-9-5-4-8-14(15)18(22)23/h1-9,13H,10-11H2,(H,22,23)

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Potential Energy
Epot(MMFF94)=81.9837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.321 g/mol  logS: -3.4543  SlogP: 2.822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0551508  Sterimol/B1: 3.94973  Sterimol/B2: 3.95253  Sterimol/B3: 4.65635
  Sterimol/B4: 5.00759  Sterimol/L: 16.1998 
 
 Surface and Volume Properties
  Accessible surface: 523.486  Positive charged surface: 282.734  Negative charged surface: 240.752  Volume: 286.875
  Hydrophobic surface: 391.04  Hydrophilic surface: 132.446
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00768089
CHEMBRIDGE-ZINC04315415