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ENAMINE-ZINC03261765

 MMsINC code: MMs01337165
Type: Neutral
Formula: C19H16N2O4
SMILES:   O(C)c1ccccc1\C=C/1\N=C(N(CC(O)=O)C\1=O)c1ccccc1
InChI:   InChI=1/C19H16N2O4/c1-25-16-10-6-5-9-14(16)11-15-19(24)21(12-17(22)23)18(20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,22,23)/b15-11+

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Potential Energy
Epot(MMFF94)=114.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.347 g/mol  logS: -4.44143  SlogP: 2.4097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344546  Sterimol/B1: 2.70645  Sterimol/B2: 2.8485  Sterimol/B3: 3.81095
  Sterimol/B4: 8.04631  Sterimol/L: 16.0326 
 
 Surface and Volume Properties
  Accessible surface: 569.259  Positive charged surface: 354.652  Negative charged surface: 214.607  Volume: 312.75
  Hydrophobic surface: 436.68  Hydrophilic surface: 132.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01337166
ENAMINE-ZINC03261765