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NCID-ZINC05063995

 MMsINC code: MMs02435481
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)=86.5035 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: 0.211332  Sterimol/B1: 2.29007  Sterimol/B2: 4.44837  Sterimol/B3: 5.18615
  Sterimol/B4: 5.33648  Sterimol/L: 11.8875 
 
 Surface and Volume Properties
  Accessible surface: 460.168  Positive charged surface: 335.722  Negative charged surface: 124.446  Volume: 243.75
  Hydrophobic surface: 279.32  Hydrophilic surface: 180.848
 
 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.