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CHEMDIV-ZINC00339126

 MMsINC code: MMs00849516
Type: Neutral
Formula: C14H11NO6
SMILES:   o1nc(C(=O)c2ccccc2)c(C(OC)=O)c1C(OC)=O
InChI:   InChI=1/C14H11NO6/c1-19-13(17)9-10(15-21-12(9)14(18)20-2)11(16)8-6-4-3-5-7-8/h3-7H,1-2H3

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Potential Energy
Epot(MMFF94)=80.5507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.243 g/mol  logS: -3.17334  SlogP: 1.4788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0167412  Sterimol/B1: 2.06031  Sterimol/B2: 2.43355  Sterimol/B3: 3.68618
  Sterimol/B4: 8.72207  Sterimol/L: 15.04 
 
 Surface and Volume Properties
  Accessible surface: 508.384  Positive charged surface: 313.927  Negative charged surface: 194.457  Volume: 251.375
  Hydrophobic surface: 388.491  Hydrophilic surface: 119.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.