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NCID-ZINC01707620

 MMsINC code: MMs02335786
Type: Neutral
Formula: C11H11NO6
SMILES:   O(Cc1ccccc1)C(=O)NC(C(O)=O)C(O)=O
InChI:   InChI=1/C11H11NO6/c13-9(14)8(10(15)16)12-11(17)18-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=25.2456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.21 g/mol  logS: -1.59951  SlogP: 0.717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055495  Sterimol/B1: 2.4317  Sterimol/B2: 3.50226  Sterimol/B3: 3.92556
  Sterimol/B4: 4.16917  Sterimol/L: 14.9869 
 
 Surface and Volume Properties
  Accessible surface: 473.398  Positive charged surface: 265.449  Negative charged surface: 207.949  Volume: 216
  Hydrophobic surface: 234.794  Hydrophilic surface: 238.604
 
 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


MMs02335787
NCID-ZINC01707620