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PUBCHEM-ZINC06486938

 MMsINC code: MMs03761763
Type: Neutral
Formula: C4H8NO2-
SMILES:   O(C(=O)C([NH-])C)C
InChI:   InChI=1/C4H8NO2/c1-3(5)4(6)7-2/h3,5H,1-2H3/q-1/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=39.0491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.113 g/mol  logS: -0.04167  SlogP: -0.1692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121927  Sterimol/B1: 2.4184  Sterimol/B2: 2.53192  Sterimol/B3: 3.37084
  Sterimol/B4: 4.42223  Sterimol/L: 9.06876 
 
 Surface and Volume Properties
  Accessible surface: 276.046  Positive charged surface: 194.887  Negative charged surface: 81.1592  Volume: 103
  Hydrophobic surface: 168.298  Hydrophilic surface: 107.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 1  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.