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PUBCHEM-ZINC06469300

 MMsINC code: MMs03750844
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)=83.8058 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: 0.135418  Sterimol/B1: 2.42926  Sterimol/B2: 3.21299  Sterimol/B3: 5.52175
  Sterimol/B4: 5.54101  Sterimol/L: 14.8944 
 
 Surface and Volume Properties
  Accessible surface: 523.419  Positive charged surface: 427.644  Negative charged surface: 95.7743  Volume: 269.875
  Hydrophobic surface: 334.235  Hydrophilic surface: 189.184
 
 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.