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PUBCHEM-ZINC06525370

 MMsINC code: MMs03783328
Type: Neutral
Formula: C12H15NO5
SMILES:   O1C(C(O)C(O)C1CO)c1cc(ccc1)C(=O)N
InChI:   InChI=1/C12H15NO5/c13-12(17)7-3-1-2-6(4-7)11-10(16)9(15)8(5-14)18-11/h1-4,8-11,14-16H,5H2,(H2,13,17)/t8-,9-,10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=82.2081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.254 g/mol  logS: -1.29442  SlogP: -0.965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0828364  Sterimol/B1: 2.18619  Sterimol/B2: 2.40255  Sterimol/B3: 4.36499
  Sterimol/B4: 6.36126  Sterimol/L: 13.9082 
 
 Surface and Volume Properties
  Accessible surface: 456.906  Positive charged surface: 298.384  Negative charged surface: 158.522  Volume: 227.625
  Hydrophobic surface: 207.55  Hydrophilic surface: 249.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.