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NCID-ZINC04759177

 MMsINC code: MMs02401221
Type: Neutral
Formula: C12H23NO5
SMILES:   O1C(OCC1C(N)C(O)C1OC(OC1)(C)C)(C)C
InChI:   InChI=1/C12H23NO5/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,14H,5-6,13H2,1-4H3/t7-,8+,9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.6786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.318 g/mol  logS: -1.36836  SlogP: -0.0224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10806  Sterimol/B1: 2.10185  Sterimol/B2: 4.01306  Sterimol/B3: 4.0837
  Sterimol/B4: 4.78252  Sterimol/L: 14.6101 
 
 Surface and Volume Properties
  Accessible surface: 486.693  Positive charged surface: 363.78  Negative charged surface: 122.913  Volume: 254.125
  Hydrophobic surface: 330.2  Hydrophilic surface: 156.493
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02401222
NCID-ZINC04759177