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IBS-ZINC05354906

 MMsINC code: MMs01944497
Type: Neutral
Formula: C16H14N2O6
SMILES:   O1C(c2c(cccc2)C1=O)CC(=O)C=1C(=O)N(C)C(=O)N(C)C=1O
InChI:   InChI=1/C16H14N2O6/c1-17-13(20)12(14(21)18(2)16(17)23)10(19)7-11-8-5-3-4-6-9(8)15(22)24-11/h3-6,11,20H,7H2,1-2H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=40.444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.296 g/mol  logS: -2.68569  SlogP: 1.2462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.05369  Sterimol/B1: 3.00046  Sterimol/B2: 3.35362  Sterimol/B3: 4.11163
  Sterimol/B4: 6.29298  Sterimol/L: 15.7885 
 
 Surface and Volume Properties
  Accessible surface: 534.989  Positive charged surface: 351.008  Negative charged surface: 183.981  Volume: 282.625
  Hydrophobic surface: 352.178  Hydrophilic surface: 182.811
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.