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PUBCHEM-ZINC06364906

 MMsINC code: MMs03688976
Type: Neutral
Formula: C17H29NO6
SMILES:   O1C(=CC(CC1OCCOCCO)C(C)C)C(=O)N1CCOCC1
InChI:   InChI=1/C17H29NO6/c1-13(2)14-11-15(17(20)18-3-6-21-7-4-18)24-16(12-14)23-10-9-22-8-5-19/h11,13-14,16,19H,3-10,12H2,1-2H3/t14-,16+/m0/s1

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Potential Energy
Epot(MMFF94)=93.6278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.42 g/mol  logS: -2.28249  SlogP: 0.7732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833109  Sterimol/B1: 2.52337  Sterimol/B2: 3.64457  Sterimol/B3: 3.91197
  Sterimol/B4: 9.81073  Sterimol/L: 16.0915 
 
 Surface and Volume Properties
  Accessible surface: 646.424  Positive charged surface: 531.263  Negative charged surface: 115.161  Volume: 336.875
  Hydrophobic surface: 489.892  Hydrophilic surface: 156.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.