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AURORAFEINCHEMIE-ZINC02507166

 MMsINC code: MMs00453649
Type: Neutral
Formula: C14H27NO3
SMILES:   O(C(C)(C)C)C(=O)N1CCC(CC1)CCCCO
InChI:   InChI=1/C14H27NO3/c1-14(2,3)18-13(17)15-9-7-12(8-10-15)6-4-5-11-16/h12,16H,4-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=25.7654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.374 g/mol  logS: -2.0605  SlogP: 2.7961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.058724  Sterimol/B1: 2.08169  Sterimol/B2: 3.96802  Sterimol/B3: 4.7847
  Sterimol/B4: 5.20941  Sterimol/L: 17.1112 
 
 Surface and Volume Properties
  Accessible surface: 540.833  Positive charged surface: 432.502  Negative charged surface: 108.331  Volume: 273.75
  Hydrophobic surface: 416.398  Hydrophilic surface: 124.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.