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PUBCHEM-ZINC06591096

 MMsINC code: MMs03810180
Type: Neutral
Formula: C17H26N2O5
SMILES:   O1C(CC(=O)C=C1C(=O)NC(C(=O)N1CCCCCC1)CO)(C)C
InChI:   InChI=1/C17H26N2O5/c1-17(2)10-12(21)9-14(24-17)15(22)18-13(11-20)16(23)19-7-5-3-4-6-8-19/h9,13,20H,3-8,10-11H2,1-2H3,(H,18,22)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=78.7601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.404 g/mol  logS: -2.19183  SlogP: 0.518  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.110521  Sterimol/B1: 2.71901  Sterimol/B2: 3.92751  Sterimol/B3: 6.20748
  Sterimol/B4: 6.22764  Sterimol/L: 15.7808 
 
 Surface and Volume Properties
  Accessible surface: 592.394  Positive charged surface: 406.983  Negative charged surface: 185.411  Volume: 322.625
  Hydrophobic surface: 404.732  Hydrophilic surface: 187.662
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.