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NCID-ZINC05341254

 MMsINC code: MMs02453584
Type: Neutral
Formula: C14H23NO7
SMILES:   O1C(C(OC(=O)C)C(NC(=O)C)C1OC)C1OC(OC1)(C)C
InChI:   InChI=1/C14H23NO7/c1-7(16)15-10-12(20-8(2)17)11(21-13(10)18-5)9-6-19-14(3,4)22-9/h9-13H,6H2,1-5H3,(H,15,16)/t9-,10-,11-,12-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=66.2117 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.338 g/mol  logS: -1.64535  SlogP: -0.0544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.174723  Sterimol/B1: 2.22254  Sterimol/B2: 4.59557  Sterimol/B3: 5.79083
  Sterimol/B4: 6.38527  Sterimol/L: 14.6306 
 
 Surface and Volume Properties
  Accessible surface: 578.589  Positive charged surface: 421.178  Negative charged surface: 157.411  Volume: 296
  Hydrophobic surface: 444.783  Hydrophilic surface: 133.806
 
 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.