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BACHEM-ZINC02047700

 MMsINC code: MMs00482709
Type: Ionized
Formula: C4H10N3O2+
SMILES:   O=C(N)C([NH3+])CC(=O)N
InChI:   InChI=1/C4H9N3O2/c5-2(4(7)9)1-3(6)8/h2H,1,5H2,(H2,6,8)(H2,7,9)/p+1/t2-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.91637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 132.143 g/mol  logS: 0.30345  SlogP: -3.0424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105853  Sterimol/B1: 2.57886  Sterimol/B2: 2.73617  Sterimol/B3: 3.19299
  Sterimol/B4: 4.23763  Sterimol/L: 9.82427 
 
 Surface and Volume Properties
  Accessible surface: 304.52  Positive charged surface: 228.731  Negative charged surface: 75.7897  Volume: 119.875
  Hydrophobic surface: 46.3261  Hydrophilic surface: 258.1939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 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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Parent related molecule:


MMs00482708
BACHEM-ZINC02047700