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CHEMDIV-ZINC03030451

 MMsINC code: MMs00905202
Type: Neutral
Formula: C11H10N2O3
SMILES:   OC(=O)Cn1c2c(nc1C(=O)C)cccc2
InChI:   InChI=1/C11H10N2O3/c1-7(14)11-12-8-4-2-3-5-9(8)13(11)6-10(15)16/h2-5H,6H2,1H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=28.1426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -1.83852  SlogP: 1.5899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.075498  Sterimol/B1: 2.19879  Sterimol/B2: 2.87785  Sterimol/B3: 3.30772
  Sterimol/B4: 7.77181  Sterimol/L: 11.5771 
 
 Surface and Volume Properties
  Accessible surface: 409.68  Positive charged surface: 234.844  Negative charged surface: 174.836  Volume: 197.375
  Hydrophobic surface: 275.453  Hydrophilic surface: 134.227
 
 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


MMs00905203
CHEMDIV-ZINC03030451