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PUBCHEM-ZINC01841100

 MMsINC code: MMs02821603
Type: Neutral
Formula: C4H9NO2
SMILES:   OC(=O)CCNC
InChI:   InChI=1/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)

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Potential Energy
Epot(MMFF94)=-6.8826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 103.121 g/mol  logS: 0.76476  SlogP: -0.3195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0638331  Sterimol/B1: 2.51247  Sterimol/B2: 2.54504  Sterimol/B3: 3.00581
  Sterimol/B4: 3.04986  Sterimol/L: 10.5324 
 
 Surface and Volume Properties
  Accessible surface: 283.098  Positive charged surface: 219.927  Negative charged surface: 63.1707  Volume: 105.25
  Hydrophobic surface: 158.08  Hydrophilic surface: 125.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.