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CHEMSTAR-ZINC02565646

 MMsINC code: MMs01081622
Type: Neutral
Formula: C9H10N2O3
SMILES:   OC(=O)CNc1ccc(cc1)C(=O)N
InChI:   InChI=1/C9H10N2O3/c10-9(14)6-1-3-7(4-2-6)11-5-8(12)13/h1-4,11H,5H2,(H2,10,14)(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.2869 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.19 g/mol  logS: -1.4293  SlogP: 0.282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00652267  Sterimol/B1: 2.37266  Sterimol/B2: 2.37646  Sterimol/B3: 2.59381
  Sterimol/B4: 4.87738  Sterimol/L: 13.9295 
 
 Surface and Volume Properties
  Accessible surface: 383.49  Positive charged surface: 226.076  Negative charged surface: 157.414  Volume: 176.25
  Hydrophobic surface: 161.497  Hydrophilic surface: 221.993
 
 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


MMs01081623
CHEMSTAR-ZINC02565646