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NCID-ZINC05409591

 MMsINC code: MMs02459684
Type: Neutral
Formula: C12H23NO6
SMILES:   O1C(COC)C(OC)C(OC)C(NC(=O)C)C1OC
InChI:   InChI=1/C12H23NO6/c1-7(14)13-9-11(17-4)10(16-3)8(6-15-2)19-12(9)18-5/h8-12H,6H2,1-5H3,(H,13,14)/t8-,9+,10+,11-,12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.3786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.317 g/mol  logS: -0.51324  SlogP: -0.4612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.342326  Sterimol/B1: 1.99562  Sterimol/B2: 5.21064  Sterimol/B3: 5.83273
  Sterimol/B4: 6.93929  Sterimol/L: 13.0669 
 
 Surface and Volume Properties
  Accessible surface: 515.085  Positive charged surface: 453.555  Negative charged surface: 61.5296  Volume: 270.75
  Hydrophobic surface: 461.839  Hydrophilic surface: 53.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.