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CHEMBLOCK-ZINC00062059

 MMsINC code: MMs00492364
Type: Neutral
Formula: C11H11NO5
SMILES:   OC(=O)c1ccccc1NC(=O)CCC(O)=O
InChI:   InChI=1/C11H11NO5/c13-9(5-6-10(14)15)12-8-4-2-1-3-7(8)11(16)17/h1-4H,5-6H2,(H,12,13)(H,14,15)(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.211 g/mol  logS: -1.31605  SlogP: 1.1881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235305  Sterimol/B1: 2.6375  Sterimol/B2: 3.0028  Sterimol/B3: 3.3512
  Sterimol/B4: 6.46478  Sterimol/L: 14.3213 
 
 Surface and Volume Properties
  Accessible surface: 439.104  Positive charged surface: 264.672  Negative charged surface: 174.431  Volume: 206.125
  Hydrophobic surface: 221.636  Hydrophilic surface: 217.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs00492365
CHEMBLOCK-ZINC00062059