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MAYBRIDGE-ZINC04344281

 MMsINC code: MMs02169666
Type: Neutral
Formula: C10H19NO3
SMILES:   O(C(=O)CNC(=O)CC(C)(C)C)CC
InChI:   InChI=1/C10H19NO3/c1-5-14-9(13)7-11-8(12)6-10(2,3)4/h5-7H2,1-4H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=43.3171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.266 g/mol  logS: -2.25328  SlogP: 1.1019  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0519123  Sterimol/B1: 2.63958  Sterimol/B2: 3.62399  Sterimol/B3: 3.6252
  Sterimol/B4: 3.63928  Sterimol/L: 15.7589 
 
 Surface and Volume Properties
  Accessible surface: 454.738  Positive charged surface: 332.298  Negative charged surface: 122.44  Volume: 211.375
  Hydrophobic surface: 297.285  Hydrophilic surface: 157.453
 
 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.