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MAYBRIDGE-ZINC00085290

 MMsINC code: MMs02129528
Type: Neutral
Formula: C11H15NO5
SMILES:   OC(C(O)C(=O)Nc1ccccc1)C(O)CO
InChI:   InChI=1/C11H15NO5/c13-6-8(14)9(15)10(16)11(17)12-7-4-2-1-3-5-7/h1-5,8-10,13-16H,6H2,(H,12,17)/t8-,9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=86.8653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.243 g/mol  logS: -0.77681  SlogP: -1.2999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.063793  Sterimol/B1: 2.86099  Sterimol/B2: 3.58251  Sterimol/B3: 3.72535
  Sterimol/B4: 4.70407  Sterimol/L: 14.9605 
 
 Surface and Volume Properties
  Accessible surface: 456.895  Positive charged surface: 284.091  Negative charged surface: 172.804  Volume: 220.125
  Hydrophobic surface: 261.614  Hydrophilic surface: 195.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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: no related molecules available.