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ENAMINE-ZINC03261766

 MMsINC code: MMs01337167
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)=110.793 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: 0.0319146  Sterimol/B1: 2.89447  Sterimol/B2: 3.36745  Sterimol/B3: 3.71051
  Sterimol/B4: 7.14854  Sterimol/L: 15.3399 
 
 Surface and Volume Properties
  Accessible surface: 572.112  Positive charged surface: 341.021  Negative charged surface: 231.092  Volume: 311.375
  Hydrophobic surface: 428.792  Hydrophilic surface: 143.32
 
 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


MMs01337168
ENAMINE-ZINC03261766