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PUBCHEM-ZINC05161840

 MMsINC code: MMs03217306
Type: Neutral
Formula: C10H13NO4
SMILES:   O(C(=O)c1ccc(N)cc1)C(CO)CO
InChI:   InChI=1/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-9(5-12)6-13/h1-4,9,12-13H,5-6,11H2

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Potential Energy
Epot(MMFF94)=68.7898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.217 g/mol  logS: -1.08241  SlogP: -0.2212  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0753369  Sterimol/B1: 2.52196  Sterimol/B2: 3.15994  Sterimol/B3: 4.24321
  Sterimol/B4: 5.22391  Sterimol/L: 13.0797 
 
 Surface and Volume Properties
  Accessible surface: 425.091  Positive charged surface: 306.177  Negative charged surface: 118.914  Volume: 194.25
  Hydrophobic surface: 250.723  Hydrophilic surface: 174.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.