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ACROSORGANICS-ZINC01648261

 MMsINC code: MMs00010207
Type: Neutral
Formula: C4H9NO2
SMILES:   O(CC)C(=O)NC
InChI:   InChI=1/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-16.1708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: -0.16714  SlogP: 0.3623  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462152  Sterimol/B1: 2.37474  Sterimol/B2: 2.37584  Sterimol/B3: 2.53391
  Sterimol/B4: 3.46549  Sterimol/L: 10.6817 
 
 Surface and Volume Properties
  Accessible surface: 290.666  Positive charged surface: 235.554  Negative charged surface: 55.1118  Volume: 105.625
  Hydrophobic surface: 194.611  Hydrophilic surface: 96.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.