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ASINEX-ZINC03015477

 MMsINC code: MMs00283562
Type: Neutral
Formula: C11H10N2O3
SMILES:   OC=1c2c(N(C)C(=O)C=1C(=O)N)cccc2
InChI:   InChI=1/C11H10N2O3/c1-13-7-5-3-2-4-6(7)9(14)8(10(12)15)11(13)16/h2-5,14H,1H3,(H2,12,15)

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Potential Energy
Epot(MMFF94)=49.2313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.07143  SlogP: 0.4174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469768  Sterimol/B1: 2.19574  Sterimol/B2: 2.86414  Sterimol/B3: 3.21912
  Sterimol/B4: 7.33387  Sterimol/L: 12.0001 
 
 Surface and Volume Properties
  Accessible surface: 395.089  Positive charged surface: 244.723  Negative charged surface: 150.366  Volume: 194.375
  Hydrophobic surface: 226.194  Hydrophilic surface: 168.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.