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ASINEX-ZINC00202756

 MMsINC code: MMs00091519
Type: Neutral
Formula: C15H25NO4
SMILES:   O1C2(CC(OCC2)(C)C)C(CC1=O)C(=O)NC(C)(C)C
InChI:   InChI=1/C15H25NO4/c1-13(2,3)16-12(18)10-8-11(17)20-15(10)6-7-19-14(4,5)9-15/h10H,6-9H2,1-5H3,(H,16,18)/t10-,15+/m0/s1

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Potential Energy
Epot(MMFF94)=66.0988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -2.28959  SlogP: 1.792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230557  Sterimol/B1: 3.18415  Sterimol/B2: 4.11001  Sterimol/B3: 5.28783
  Sterimol/B4: 6.11727  Sterimol/L: 11.9968 
 
 Surface and Volume Properties
  Accessible surface: 485.152  Positive charged surface: 336.327  Negative charged surface: 148.825  Volume: 280.625
  Hydrophobic surface: 329.567  Hydrophilic surface: 155.585
 
 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.