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ENAMINE-ZINC03261766

 MMsINC code: MMs01337168
Type: Ionized
Formula: C19H15N2O4-
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)/p-1/b15-11-

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Potential Energy
Epot(MMFF94)=88.929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.339 g/mol  logS: -4.70188  SlogP: 1.075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0601267  Sterimol/B1: 2.83721  Sterimol/B2: 3.90594  Sterimol/B3: 4.06664
  Sterimol/B4: 6.78314  Sterimol/L: 15.1547 
 
 Surface and Volume Properties
  Accessible surface: 579.992  Positive charged surface: 332.277  Negative charged surface: 247.715  Volume: 314.25
  Hydrophobic surface: 453.905  Hydrophilic surface: 126.087
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs01337167
ENAMINE-ZINC03261766