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CHEMDIV-ZINC00191053

 MMsINC code: MMs00837366
Type: Neutral
Formula: C15H11NO5
SMILES:   OC(=O)c1cc(ccc1C(O)=O)C(=O)c1ccc(N)cc1
InChI:   InChI=1/C15H11NO5/c16-10-4-1-8(2-5-10)13(17)9-3-6-11(14(18)19)12(7-9)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21)

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Potential Energy
Epot(MMFF94)=91.4069 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.255 g/mol  logS: -3.11737  SlogP: 1.8962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283254  Sterimol/B1: 2.73334  Sterimol/B2: 3.35465  Sterimol/B3: 3.3656
  Sterimol/B4: 6.74833  Sterimol/L: 15.1874 
 
 Surface and Volume Properties
  Accessible surface: 482.564  Positive charged surface: 270.393  Negative charged surface: 212.171  Volume: 247.75
  Hydrophobic surface: 219.385  Hydrophilic surface: 263.179
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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


MMs00837367
CHEMDIV-ZINC00191053