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CHEMDIV-ZINC00266274

 MMsINC code: MMs00848287
Type: Neutral
Formula: C11H10N2O3
SMILES:   o1nc(cc1C(=O)N)-c1ccccc1OC
InChI:   InChI=1/C11H10N2O3/c1-15-9-5-3-2-4-7(9)8-6-10(11(12)14)16-13-8/h2-6H,1H3,(H2,12,14)

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Potential Energy
Epot(MMFF94)=57.8387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.88183  SlogP: 1.4491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00611167  Sterimol/B1: 2.37197  Sterimol/B2: 2.3784  Sterimol/B3: 2.5184
  Sterimol/B4: 7.4795  Sterimol/L: 13.3233 
 
 Surface and Volume Properties
  Accessible surface: 418.059  Positive charged surface: 265.142  Negative charged surface: 152.917  Volume: 199.75
  Hydrophobic surface: 279.15  Hydrophilic surface: 138.909
 
 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.