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NCID-ZINC05543101

 MMsINC code: MMs02472898
Type: Neutral
Formula: C2H5NO2
SMILES:   OC(=O)NC
InChI:   InChI=1/C2H5NO2/c1-3-2(4)5/h3H,1H3,(H,4,5)

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Potential Energy
Epot(MMFF94)=-29.6376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 75.067 g/mol  logS: 0.5724  SlogP: -0.1162  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0580259  Sterimol/B1: 2.37469  Sterimol/B2: 2.3753  Sterimol/B3: 2.95121
  Sterimol/B4: 3.01033  Sterimol/L: 8.00557 
 
 Surface and Volume Properties
  Accessible surface: 223.078  Positive charged surface: 168.309  Negative charged surface: 54.7693  Volume: 68.125
  Hydrophobic surface: 88.5902  Hydrophilic surface: 134.4878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.