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NCID-ZINC05351050

 MMsINC code: MMs02453939
Type: Neutral
Formula: C10H10N2O3
SMILES:   OC(=O)\C=N/NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C10H10N2O3/c1-7-2-4-8(5-3-7)10(15)12-11-6-9(13)14/h2-6H,1H3,(H,12,15)(H,13,14)/b11-6-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.8519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.201 g/mol  logS: -2.24001  SlogP: 0.79522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00748814  Sterimol/B1: 2.18378  Sterimol/B2: 2.50769  Sterimol/B3: 2.81448
  Sterimol/B4: 5.47526  Sterimol/L: 13.5918 
 
 Surface and Volume Properties
  Accessible surface: 410.175  Positive charged surface: 236.467  Negative charged surface: 173.708  Volume: 188.625
  Hydrophobic surface: 231.819  Hydrophilic surface: 178.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs02453940
NCID-ZINC05351050