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PUBCHEM-ZINC00435691

 MMsINC code: MMs02683352
Type: Neutral
Formula: C11H10N2O3
SMILES:   o1nc(-c2ccccc2OC)c(c1)C(=O)N
InChI:   InChI=1/C11H10N2O3/c1-15-9-5-3-2-4-7(9)10-8(11(12)14)6-16-13-10/h2-6H,1H3,(H2,12,14)

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Potential Energy
Epot(MMFF94)=55.2434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.72891  SlogP: 1.4491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0816409  Sterimol/B1: 2.42759  Sterimol/B2: 2.56617  Sterimol/B3: 3.85009
  Sterimol/B4: 7.01709  Sterimol/L: 11.2782 
 
 Surface and Volume Properties
  Accessible surface: 409.138  Positive charged surface: 243.46  Negative charged surface: 165.678  Volume: 198.125
  Hydrophobic surface: 288.454  Hydrophilic surface: 120.684
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.