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NCID-ZINC05063993

 MMsINC code: MMs02435479
Type: Neutral
Formula: C12H21NO5
SMILES:   O1C(COC1(C)C)C1OC(N)C2OC(OC12)(C)C
InChI:   InChI=1/C12H21NO5/c1-11(2)14-5-6(16-11)7-8-9(10(13)15-7)18-12(3,4)17-8/h6-10H,5,13H2,1-4H3/t6-,7-,8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=79.3188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.302 g/mol  logS: -1.74311  SlogP: 0.3416  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164982  Sterimol/B1: 2.38513  Sterimol/B2: 3.23396  Sterimol/B3: 4.91472
  Sterimol/B4: 6.26242  Sterimol/L: 12.531 
 
 Surface and Volume Properties
  Accessible surface: 486.608  Positive charged surface: 347.189  Negative charged surface: 139.418  Volume: 244.25
  Hydrophobic surface: 293.055  Hydrophilic surface: 193.553
 
 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.