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IBS-ZINC00326011

 MMsINC code: MMs01734843
Type: Neutral
Formula: C11H10N2O3
SMILES:   OC(=O)c1[nH]c2c(cccc2)c1NC(=O)C
InChI:   InChI=1/C11H10N2O3/c1-6(14)12-9-7-4-2-3-5-8(7)13-10(9)11(15)16/h2-5,13H,1H3,(H,12,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.8817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.00655  SlogP: 1.8245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0392952  Sterimol/B1: 2.6752  Sterimol/B2: 2.68824  Sterimol/B3: 3.07699
  Sterimol/B4: 7.82484  Sterimol/L: 11.6123 
 
 Surface and Volume Properties
  Accessible surface: 412.071  Positive charged surface: 232.376  Negative charged surface: 176.064  Volume: 195.875
  Hydrophobic surface: 247.962  Hydrophilic surface: 164.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs01734844
IBS-ZINC00326011