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ASINEX-ZINC02092068

 MMsINC code: MMs00263705
Type: Neutral
Formula: C14H23NO4
SMILES:   O1C2(CCC(C)(C2(C)C)C1=O)C(=O)NCCCOC
InChI:   InChI=1/C14H23NO4/c1-12(2)13(3)6-7-14(12,19-11(13)17)10(16)15-8-5-9-18-4/h5-9H2,1-4H3,(H,15,16)/t13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=69.4887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.78047  SlogP: 1.261  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0783019  Sterimol/B1: 2.23951  Sterimol/B2: 2.67421  Sterimol/B3: 5.23979
  Sterimol/B4: 5.69745  Sterimol/L: 16.5739 
 
 Surface and Volume Properties
  Accessible surface: 513.355  Positive charged surface: 377.435  Negative charged surface: 135.92  Volume: 268.625
  Hydrophobic surface: 376.847  Hydrophilic surface: 136.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.