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PUBCHEM-ZINC05837510

 MMsINC code: MMs03408818
Type: Neutral
Formula: C8H15NO3
SMILES:   O(C(=O)C(NC(=O)C)CCC)C
InChI:   InChI=1/C8H15NO3/c1-4-5-7(8(11)12-3)9-6(2)10/h7H,4-5H2,1-3H3,(H,9,10)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=27.1781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.212 g/mol  logS: -1.22284  SlogP: 0.4642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935701  Sterimol/B1: 2.21729  Sterimol/B2: 2.57376  Sterimol/B3: 3.41695
  Sterimol/B4: 7.64915  Sterimol/L: 11.4429 
 
 Surface and Volume Properties
  Accessible surface: 395.819  Positive charged surface: 292.467  Negative charged surface: 103.352  Volume: 176.5
  Hydrophobic surface: 298.462  Hydrophilic surface: 97.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.