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NCID-ZINC01719627

 MMsINC code: MMs02344755
Type: Neutral
Formula: C10H10N2O4
SMILES:   OC(=O)c1cc(ccc1)C(=O)NNC(=O)C
InChI:   InChI=1/C10H10N2O4/c1-6(13)11-12-9(14)7-3-2-4-8(5-7)10(15)16/h2-5H,1H3,(H,11,13)(H,12,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.3039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.2 g/mol  logS: -1.79226  SlogP: 0.1657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00451481  Sterimol/B1: 2.37495  Sterimol/B2: 2.37516  Sterimol/B3: 3.71945
  Sterimol/B4: 4.82  Sterimol/L: 15.3355 
 
 Surface and Volume Properties
  Accessible surface: 422.638  Positive charged surface: 223.874  Negative charged surface: 198.764  Volume: 196.875
  Hydrophobic surface: 219.649  Hydrophilic surface: 202.989
 
 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


MMs02344756
NCID-ZINC01719627