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FRINTON-ZINC06129984

 MMsINC code: MMs01728176
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1N(CC(C1)C(=O)N)C
InChI:   InChI=1/C6H10N2O2/c1-8-3-4(6(7)10)2-5(8)9/h4H,2-3H2,1H3,(H2,7,10)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=1.11525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: 0.27708  SlogP: -1.05  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.203296  Sterimol/B1: 2.44608  Sterimol/B2: 3.13873  Sterimol/B3: 3.86309
  Sterimol/B4: 4.1638  Sterimol/L: 9.71194 
 
 Surface and Volume Properties
  Accessible surface: 317.732  Positive charged surface: 239.635  Negative charged surface: 78.0972  Volume: 133.375
  Hydrophobic surface: 175.474  Hydrophilic surface: 142.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: no related molecules available.