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BACHEM-ZINC04760107

 MMsINC code: MMs00484799
Type: Neutral
Formula: C5H11NO3
SMILES:   O(C(=O)C(N)C(O)C)C
InChI:   InChI=1/C5H11NO3/c1-3(7)4(6)5(8)9-2/h3-4,7H,6H2,1-2H3/t3-,4-/m0/s1

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Potential Energy
Epot(MMFF94)=39.8799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.147 g/mol  logS: 0.18526  SlogP: -1.1325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961795  Sterimol/B1: 2.86766  Sterimol/B2: 2.98642  Sterimol/B3: 3.35238
  Sterimol/B4: 4.39691  Sterimol/L: 9.98358 
 
 Surface and Volume Properties
  Accessible surface: 321.799  Positive charged surface: 246.471  Negative charged surface: 75.3276  Volume: 128.125
  Hydrophobic surface: 172.874  Hydrophilic surface: 148.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.