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ENAMINE-ZINC00295965

 MMsINC code: MMs01228182
Type: Neutral
Formula: C15H12NO3-
SMILES:   O(C)c1ccc(cc1)\C=N\c1cc(ccc1)C(=O)[O-]
InChI:   InChI=1/C15H13NO3/c1-19-14-7-5-11(6-8-14)10-16-13-4-2-3-12(9-13)15(17)18/h2-10H,1H3,(H,17,18)/p-1/b16-10+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.5579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.265 g/mol  logS: -3.58985  SlogP: 1.8093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466271  Sterimol/B1: 2.6278  Sterimol/B2: 3.80071  Sterimol/B3: 3.87277
  Sterimol/B4: 4.79092  Sterimol/L: 16.9832 
 
 Surface and Volume Properties
  Accessible surface: 500.08  Positive charged surface: 287.896  Negative charged surface: 212.183  Volume: 244.5
  Hydrophobic surface: 385.18  Hydrophilic surface: 114.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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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Ions/Tautomers related molecules


MMs01228183
ENAMINE-ZINC00295965