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NCID-ZINC01755247

 MMsINC code: MMs02364273
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C(N)C\C=C\CC(=O)N
InChI:   InChI=1/C6H10N2O2/c7-5(9)3-1-2-4-6(8)10/h1-2H,3-4H2,(H2,7,9)(H2,8,10)/b2-1+

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Potential Energy
Epot(MMFF94)=17.1231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -0.41732  SlogP: -0.7066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0747584  Sterimol/B1: 2.41698  Sterimol/B2: 2.7532  Sterimol/B3: 3.14763
  Sterimol/B4: 3.66486  Sterimol/L: 11.8227 
 
 Surface and Volume Properties
  Accessible surface: 346.065  Positive charged surface: 247.635  Negative charged surface: 98.43  Volume: 137.5
  Hydrophobic surface: 106.303  Hydrophilic surface: 239.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.