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ACROSORGANICS-ZINC04284488

 MMsINC code: MMs00018144
Type: Neutral
Formula: C13H17NO5
SMILES:   O(C(=O)C(O)C(O)C(=O)NCc1ccc(cc1)C)C
InChI:   InChI=1/C13H17NO5/c1-8-3-5-9(6-4-8)7-14-12(17)10(15)11(16)13(18)19-2/h3-6,10-11,15-16H,7H2,1-2H3,(H,14,17)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=56.0926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.281 g/mol  logS: -2.00802  SlogP: -0.22758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584135  Sterimol/B1: 2.41408  Sterimol/B2: 3.32759  Sterimol/B3: 3.88902
  Sterimol/B4: 6.0776  Sterimol/L: 16.8634 
 
 Surface and Volume Properties
  Accessible surface: 516.209  Positive charged surface: 344.685  Negative charged surface: 171.524  Volume: 252.375
  Hydrophobic surface: 368.238  Hydrophilic surface: 147.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.