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AURORAFEINCHEMIE-ZINC04027768

 MMsINC code: MMs00462392
Type: Neutral
Formula: C16H27NO6
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCCCC)(C)C
InChI:   InChI=1/C16H27NO6/c1-6-7-8-17-13(18)11-9-10(21-15(2,3)20-9)12-14(19-11)23-16(4,5)22-12/h9-12,14H,6-8H2,1-5H3,(H,17,18)/t9-,10+,11+,12-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=69.9113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.393 g/mol  logS: -3.26852  SlogP: 1.2992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933949  Sterimol/B1: 2.92612  Sterimol/B2: 3.92247  Sterimol/B3: 4.91902
  Sterimol/B4: 6.74826  Sterimol/L: 17.1576 
 
 Surface and Volume Properties
  Accessible surface: 592.334  Positive charged surface: 415.877  Negative charged surface: 176.457  Volume: 315.625
  Hydrophobic surface: 392.903  Hydrophilic surface: 199.431
 
 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.