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ENAMINE-ZINC06940518

 MMsINC code: MMs01714877
Type: Neutral
Formula: C11H10N2O3
SMILES:   O(C)c1cc(C(=O)c2cn[nH]c2)c(O)cc1
InChI:   InChI=1/C11H10N2O3/c1-16-8-2-3-10(14)9(4-8)11(15)7-5-12-13-6-7/h2-6,14H,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=63.924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -1.58216  SlogP: 1.3549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0970547  Sterimol/B1: 2.33144  Sterimol/B2: 3.56306  Sterimol/B3: 4.20983
  Sterimol/B4: 5.34876  Sterimol/L: 13.3824 
 
 Surface and Volume Properties
  Accessible surface: 415.967  Positive charged surface: 266.276  Negative charged surface: 149.69  Volume: 197.75
  Hydrophobic surface: 242.184  Hydrophilic surface: 173.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.