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MAYBRIDGE-ZINC00164355

 MMsINC code: MMs02144740
Type: Neutral
Formula: C10H11NO4
SMILES:   OC(=O)C(NC(=O)c1ccccc1)CO
InChI:   InChI=1/C10H11NO4/c12-6-8(10(14)15)11-9(13)7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,11,13)(H,14,15)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2879 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.201 g/mol  logS: -1.32431  SlogP: -0.1381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0906132  Sterimol/B1: 3.00396  Sterimol/B2: 3.38568  Sterimol/B3: 3.80483
  Sterimol/B4: 4.20422  Sterimol/L: 12.8925 
 
 Surface and Volume Properties
  Accessible surface: 414.241  Positive charged surface: 240.667  Negative charged surface: 173.574  Volume: 191
  Hydrophobic surface: 243.999  Hydrophilic surface: 170.242
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02144741
MAYBRIDGE-ZINC00164355