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BACHEM-ZINC02560737

 MMsINC code: MMs00483858
Type: Neutral
Formula: C5H11N3O2
SMILES:   O=C(N)C(N)CCC(=O)N
InChI:   InChI=1/C5H11N3O2/c6-3(5(8)10)1-2-4(7)9/h3H,1-2,6H2,(H2,7,9)(H2,8,10)/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=13.9946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 145.162 g/mol  logS: 0.07729  SlogP: -1.9355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0999914  Sterimol/B1: 2.60182  Sterimol/B2: 2.96433  Sterimol/B3: 3.20119
  Sterimol/B4: 4.16582  Sterimol/L: 10.868 
 
 Surface and Volume Properties
  Accessible surface: 335.338  Positive charged surface: 239.41  Negative charged surface: 95.9287  Volume: 135.5
  Hydrophobic surface: 70.0914  Hydrophilic surface: 265.2466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs00483859
BACHEM-ZINC02560737