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MAYBRIDGE-ZINC02509847

 MMsINC code: MMs02159545
Type: Neutral
Formula: C8H16N2O3
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N)C
InChI:   InChI=1/C8H16N2O3/c1-5(6(9)11)10-7(12)13-8(2,3)4/h5H,1-4H3,(H2,9,11)(H,10,12)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=21.7656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.227 g/mol  logS: -1.42733  SlogP: 0.3849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100565  Sterimol/B1: 2.16461  Sterimol/B2: 3.09644  Sterimol/B3: 3.75377
  Sterimol/B4: 5.04756  Sterimol/L: 12.7918 
 
 Surface and Volume Properties
  Accessible surface: 402.404  Positive charged surface: 274.963  Negative charged surface: 127.442  Volume: 186.375
  Hydrophobic surface: 190.927  Hydrophilic surface: 211.477
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.