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ASINEX-ZINC00143203

 MMsINC code: MMs00081971
Type: Neutral
Formula: C11H12N2O4
SMILES:   OC(=O)CCC(=O)Nc1ccc(cc1)C(=O)N
InChI:   InChI=1/C11H12N2O4/c12-11(17)7-1-3-8(4-2-7)13-9(14)5-6-10(15)16/h1-4H,5-6H2,(H2,12,17)(H,13,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.7619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.227 g/mol  logS: -1.59877  SlogP: 0.5888  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0179015  Sterimol/B1: 2.35891  Sterimol/B2: 2.52522  Sterimol/B3: 3.16756
  Sterimol/B4: 5.20704  Sterimol/L: 16.5379 
 
 Surface and Volume Properties
  Accessible surface: 445.941  Positive charged surface: 269.748  Negative charged surface: 176.193  Volume: 212
  Hydrophobic surface: 203.957  Hydrophilic surface: 241.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00081972
ASINEX-ZINC00143203