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ASINEX-ZINC04559539

 MMsINC code: MMs00352302
Type: Neutral
Formula: C17H27NO5
SMILES:   O1C(C(=O)NC2CCCCC2)C(C)C(CC)(C(OCC)=O)C1=O
InChI:   InChI=1/C17H27NO5/c1-4-17(15(20)22-5-2)11(3)13(23-16(17)21)14(19)18-12-9-7-6-8-10-12/h11-13H,4-10H2,1-3H3,(H,18,19)/t11-,13-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=59.1355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.405 g/mol  logS: -3.40365  SlogP: 1.9563  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600463  Sterimol/B1: 2.52791  Sterimol/B2: 3.58645  Sterimol/B3: 3.95341
  Sterimol/B4: 6.00671  Sterimol/L: 17.8181 
 
 Surface and Volume Properties
  Accessible surface: 567.367  Positive charged surface: 397.641  Negative charged surface: 169.726  Volume: 317.5
  Hydrophobic surface: 400.259  Hydrophilic surface: 167.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.