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ALFAAESAR-ZINC01670883

 MMsINC code: MMs00021692
Type: Neutral
Formula: C6H9NO3
SMILES:   O=C1N(CCO)C(=O)CC1
InChI:   InChI=1/C6H9NO3/c8-4-3-7-5(9)1-2-6(7)10/h8H,1-4H2

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Potential Energy
Epot(MMFF94)=-4.27448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 143.142 g/mol  logS: 0.24543  SlogP: -0.8723  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.185009  Sterimol/B1: 2.87292  Sterimol/B2: 2.95365  Sterimol/B3: 3.15036
  Sterimol/B4: 4.95131  Sterimol/L: 9.22466 
 
 Surface and Volume Properties
  Accessible surface: 312.736  Positive charged surface: 222.393  Negative charged surface: 90.3426  Volume: 131.75
  Hydrophobic surface: 190.566  Hydrophilic surface: 122.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.