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PUBCHEM-ZINC03872181

 MMsINC code: MMs03081038
Type: Neutral
Formula: C10H12N2O4
SMILES:   OC(=O)C(NC(=O)NO)Cc1ccccc1
InChI:   InChI=1/C10H12N2O4/c13-9(14)8(11-10(15)12-16)6-7-4-2-1-3-5-7/h1-5,8,16H,6H2,(H,13,14)(H2,11,12,15)/t8-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.216 g/mol  logS: -1.33892  SlogP: 0.37067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16045  Sterimol/B1: 3.16503  Sterimol/B2: 3.6285  Sterimol/B3: 4.39182
  Sterimol/B4: 6.15096  Sterimol/L: 10.8212 
 
 Surface and Volume Properties
  Accessible surface: 429.177  Positive charged surface: 239.608  Negative charged surface: 189.569  Volume: 201.25
  Hydrophobic surface: 213.575  Hydrophilic surface: 215.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03081039
PUBCHEM-ZINC03872181