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NCID-ZINC04692200

 MMsINC code: MMs02393820
Type: Neutral
Formula: C12H21NO6
SMILES:   O1C(C2OC(OC2CO)(C)C)C(OC1(C)C)C(=O)N
InChI:   InChI=1/C12H21NO6/c1-11(2)16-6(5-14)7(17-11)8-9(10(13)15)19-12(3,4)18-8/h6-9,14H,5H2,1-4H3,(H2,13,15)/t6-,7+,8+,9+/m0/s1

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Potential Energy
Epot(MMFF94)=78.3164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.301 g/mol  logS: -1.95556  SlogP: -0.4958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.210375  Sterimol/B1: 2.48928  Sterimol/B2: 3.87802  Sterimol/B3: 5.63075
  Sterimol/B4: 6.32308  Sterimol/L: 12.6662 
 
 Surface and Volume Properties
  Accessible surface: 481.257  Positive charged surface: 333.411  Negative charged surface: 147.846  Volume: 253
  Hydrophobic surface: 253.179  Hydrophilic surface: 228.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.