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PUBCHEM-ZINC06469325

 MMsINC code: MMs03750876
Type: Neutral
Formula: C12H23NO7
SMILES:   O1C(C)C(NC(=O)C(O)CCO)C(O)C(OC)C1OC
InChI:   InChI=1/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7+,8+,9-,10-,12+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.316 g/mol  logS: -0.14196  SlogP: -2.0184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0879171  Sterimol/B1: 2.37555  Sterimol/B2: 2.43139  Sterimol/B3: 4.73515
  Sterimol/B4: 6.90005  Sterimol/L: 16.0093 
 
 Surface and Volume Properties
  Accessible surface: 527.269  Positive charged surface: 423.316  Negative charged surface: 103.953  Volume: 270.25
  Hydrophobic surface: 327.637  Hydrophilic surface: 199.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.