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BACHEM-ZINC04899433

 MMsINC code: MMs00484881
Type: Neutral
Formula: C8H13NO3
SMILES:   O(C(=O)C1N(CCC1)C(=O)C)C
InChI:   InChI=1/C8H13NO3/c1-6(10)9-5-3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=35.0168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.196 g/mol  logS: -0.62503  SlogP: 0.1703  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111609  Sterimol/B1: 2.27098  Sterimol/B2: 3.03408  Sterimol/B3: 3.24181
  Sterimol/B4: 6.45714  Sterimol/L: 11.0361 
 
 Surface and Volume Properties
  Accessible surface: 374.092  Positive charged surface: 277.721  Negative charged surface: 96.3716  Volume: 167.375
  Hydrophobic surface: 310.698  Hydrophilic surface: 63.394
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.