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ACROSORGANICS-ZINC01687364

 MMsINC code: MMs00010957
Type: Neutral
Formula: C4H9NO2
SMILES:   OCCNC(=O)C
InChI:   InChI=1/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.03845 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: 0.43207  SlogP: -0.8852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0796094  Sterimol/B1: 2.45675  Sterimol/B2: 2.56382  Sterimol/B3: 2.69445
  Sterimol/B4: 3.79606  Sterimol/L: 9.62157 
 
 Surface and Volume Properties
  Accessible surface: 284.152  Positive charged surface: 212.142  Negative charged surface: 72.0104  Volume: 105
  Hydrophobic surface: 179.949  Hydrophilic surface: 104.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.