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CHEMDIV-ZINC05170930

 MMsINC code: MMs00993759
Type: Neutral
Formula: C8H17NO3
SMILES:   O(CC(O)C)C(=O)NCCCC
InChI:   InChI=1/C8H17NO3/c1-3-4-5-9-8(11)12-6-7(2)10/h7,10H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=-4.14788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.228 g/mol  logS: -1.0088  SlogP: 0.8935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0325509  Sterimol/B1: 2.67895  Sterimol/B2: 2.96748  Sterimol/B3: 2.98895
  Sterimol/B4: 3.73233  Sterimol/L: 15.718 
 
 Surface and Volume Properties
  Accessible surface: 427.346  Positive charged surface: 324.011  Negative charged surface: 103.335  Volume: 182.75
  Hydrophobic surface: 269.569  Hydrophilic surface: 157.777
 
 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.