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ACROSORGANICS-ZINC01845925

 MMsINC code: MMs00012039
Type: Neutral
Formula: C3H7NO2
SMILES:   OCNC(=O)C
InChI:   InChI=1/C3H7NO2/c1-3(6)4-2-5/h5H,2H2,1H3,(H,4,6)

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Potential Energy
Epot(MMFF94)=-13.7665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 89.094 g/mol  logS: 0.72657  SlogP: -0.9277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101116  Sterimol/B1: 2.48355  Sterimol/B2: 2.61157  Sterimol/B3: 2.73794
  Sterimol/B4: 3.34278  Sterimol/L: 8.8085 
 
 Surface and Volume Properties
  Accessible surface: 253.947  Positive charged surface: 176.72  Negative charged surface: 77.2277  Volume: 86.375
  Hydrophobic surface: 122.033  Hydrophilic surface: 131.914
 
 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.